Talabostat supplier | CasNO.149682-77-9

Name
VAL-BORO-PRO
EINECS
CAS No. 149682-77-9
Density 1.155 g/cm³
Solubility
Melting Point
Formula C₉H₁₉BN₂O₃
Boiling Point 421.437 °C at 760 mmHg
Molecular Weight 214.15
Flash Point 208.678 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms VAL-BORO-PRO;Talabostat (PT100);talabostat;Boronic acid, ((2R)-1-((2S)-2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-;Boronic acid, (1-(2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl)-, (R-(R*,S*))-;Pt 100;Unii-kz1o2sh88z;[(2R)-1-[(2S)-2-Amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]boronic acid
PSA 86.79000
LogP 0.03080

Talabostat Specification

The Talabostat, with the CAS registry number 149682-77-9, is also known as [(2R)-1-(L-Valyl)-2-pyrrolidinyl]boronic acid. It belongs to the classification codes of Hematopoietic Stimulant; Treatment of Cancer; Treatment of Cancer; Hematopoietic Stimulant. This chemical's molecular formula is C₉H₁₉BN₂O₃ and molecular weight is 214.15. What's more, its IUPAC name is called [(2R)-1-[(2S)-2-Amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]boronic acid.

Physical properties about Talabostat are: (1)ACD/LogP: 0.009; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.62; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.67; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 86.79 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 55.766 cm³; (15)Molar Volume: 185.265 cm³; (16)Polarizability: 22.107×10^-24cm³; (17)Surface Tension: 46.64 dyne/cm; (18)Density: 1.155 g/cm³; (19)Flash Point: 208.678 °C; (20)Enthalpy of Vaporization: 78.014 kJ/mol; (21)Boiling Point: 421.437 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1CCC[C@H]1B(O)O)[C@@H](N)C(C)C
(2) InChI: InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
(3) InChIKey: FKCMADOPPWWGNZ-YUMQZZPRSA-N

Product Name

VAL-BORO-PRO

Talabostat Specification

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