Cinegalline
TL;DR: Cinegalline (CAS 20772-38-7) is a chemical compound with molecular formula C23H30N2O6 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3,5-dihydroxy-4-methoxybenzoate
Also Known As: Cinegalline, Thymol glucoside, [(1S,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3,5-dihydroxy-4-methoxybenzoate, 2-Oxo-7alpha-spartein-13beta-yl 3,5-dihydroxy-4-methoxybenzoate
| Molecular Formula | C23H30N2O6 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.2104 |
| Heavy Atoms | 31 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 20772-38-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1O)C(=O)O[C@H]2CCN3C[C@H]4C[C@H]([C@@H]3C2)CN5[C@@H]4CCCC5=O)O |
| InChIKey | WCNNCIUCJFPASX-ICUGJSFKSA-N |
Product Overview
Cinegalline (CAS 20772-38-7), with molecular formula C23H30N2O6 and molecular weight 430.21 g/mol. IUPAC: [(1S,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3,5-dihydroxy-4-methoxybenzoate.
Chemical Property Profile of Cinegalline
Property Insights of Cinegalline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinegalline. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinegalline. Following Lipinski's Rule of Five, Cinegalline has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cinegalline?
The CAS number of Cinegalline is 20772-38-7.
What is the molecular formula of Cinegalline?
The molecular formula of Cinegalline is C23H30N2O6.
What is the molecular weight of Cinegalline?
The molecular weight of Cinegalline is 430.21 g/mol.
Where can I buy Cinegalline?
You can request a quote for Cinegalline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinegalline?
Yes, KEHONG BIO provides custom synthesis services for Cinegalline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.