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Name
dimethyl 3-[2,3-dimethoxy-6-(methoxycarbonyl)phenyl]-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
- EINECS
- CAS No. 81548-58-5
- Article Data1
- CAS DataBase
- Density 1.42 g/cm3
- Solubility
- Melting Point
- Formula C27H25NO10
- Boiling Point 675 °C at 760 mmHg
- Molecular Weight 523.4881
- Flash Point 362 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Berberine Deriv JCI 2223 Specification
The Berberine Deriv JCI 2223 has CAS registry number 81548-58-5. This chemical's molecular formula is C27H25NO10 and molecular weight is 523.488100. What's more, its IUPAC name is Dimethyl 3-(2,3-dimethoxy-6-methoxycarbonylphenyl)-5,6-dihydro-[1,3]benzodioxolo[5,6-g]indolizine-1,2-dicarboxylate.
Physical properties about the BERBERINE DERIV JCI 2223 are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 11; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 120.75 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 129.54 cm3; (9)Molar Volume: 367.7 cm3; (10)Surface Tension: 48.5 dyne/cm; (11)Density: 1.42 g/cm3; (12)Flash Point: 362 °C; (13)Enthalpy of Vaporization: 99.12 kJ/mol; (14)Boiling Point: 675 °C at 760 mmHg; (15)Vapour Pressure: 4.46E-18 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccc(OC)c(OC)c1c5c(C(=O)OC)c(C(=O)OC)c4c3c(cc2OCOc2c3)CCn45
(2) InChI: InChI=1/C27H25NO10/c1-32-16-7-6-14(25(29)34-3)19(24(16)33-2)23-21(27(31)36-5)20(26(30)35-4)22-15-11-18-17(37-12-38-18)10-13(15)8-9-28(22)23/h6-7,10-11H,8-9,12H2,1-5H3
(3) InChIKey: ZPMGZHXBIVBJEA-UHFFFAOYAG
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