Cilomilast supplier | CasNO.153259-65-5

Name
Cilomilast
EINECS 200-258-5
CAS No. 153259-65-5
Article Data11
CAS DataBase
Density 1.215 g/cm³
Solubility
Melting Point 157 °C
Formula C₂₀H₂₅NO₄
Boiling Point 549.06 °C at 760 mmHg
Molecular Weight 343.423
Flash Point 285.862 °C
Transport Information
Appearance White solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ariflo;Cilomilast;SB 207499;cis-4-Cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexanecarboxylicacid;cis-4-[3-(Cyclopentyloxy)-4-methoxyphenyl]-4-cyanocyclohexane-1-carboxylic acid;
PSA 79.55000
LogP 4.05278

Cilomilast Specification

The Cilomilast, with CAS registry number 153259-65-5, belongs to the following product categories: (1)13C & 2H Sugars; (2)Carbohydrates & Derivatives; (3)Intermediates & Fine Chemicals; (4)Pharmaceuticals. It has the systematic name of 4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanecarboxylic acid. This chemical is a kind of white solid. And the chemical formula of this chemical is C₂₀H₂₅NO₄.

Physical properties of Cilomilast: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 17.92; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 140.71; (8)ACD/KOC (pH 7.4): 2.21; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 68.55 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 92.52 cm³; (15)Molar Volume: 282.6 cm³; (16)Polarizability: 36.67×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 285.9 °C; (20)Enthalpy of Vaporization: 87.22 kJ/mol; (21)Boiling Point: 549.1 °C at 760 mmHg; (22)Vapour Pressure: 6.87E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C3CCC(C#N)(c2cc(OC1CCCC1)c(OC)cc2)CC3
(2)InChI: InChI=1/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
(3)InChIKey: CFBUZOUXXHZCFB-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
(5)Std. InChIKey: CFBUZOUXXHZCFB-UHFFFAOYSA-N

Product Name

Cilomilast

Cilomilast Specification

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