1-Demethylcolchicine
TL;DR: 1-Demethylcolchicine (CAS 3464-68-4) is a chemical compound with molecular formula C21H23NO6 and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(7S)-1-hydroxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: 1-Demethylcolchicine, Colchicine Impurity 19, N-[(7S)-1-hydroxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-[(7S)-1-hydroxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-ben, (s)-N-(1-hydroxy-2,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
| Molecular Formula | C21H23NO6 |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.15253 |
| Heavy Atoms | 28 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 3464-68-4 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)O)OC)OC |
| InChIKey | IGLDJTYPTSDFND-HNNXBMFYSA-N |
Product Overview
1-Demethylcolchicine (CAS 3464-68-4), with molecular formula C21H23NO6 and molecular weight 385.15 g/mol. IUPAC: N-[(7S)-1-hydroxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide.
Chemical Property Profile of 1-Demethylcolchicine
Property Insights of 1-Demethylcolchicine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Demethylcolchicine. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Demethylcolchicine. Following Lipinski's Rule of Five, 1-Demethylcolchicine has 2 hydrogen bond donor(s) and 6 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 1-Demethylcolchicine?
The CAS number of 1-Demethylcolchicine is 3464-68-4.
What is the molecular formula of 1-Demethylcolchicine?
The molecular formula of 1-Demethylcolchicine is C21H23NO6.
What is the molecular weight of 1-Demethylcolchicine?
The molecular weight of 1-Demethylcolchicine is 385.15 g/mol.
Where can I buy 1-Demethylcolchicine?
You can request a quote for 1-Demethylcolchicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Demethylcolchicine?
Yes, KEHONG BIO provides custom synthesis services for 1-Demethylcolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.