10-Benzylthio-10-demethoxy-colchicine
TL;DR: 10-Benzylthio-10-demethoxy-colchicine (CAS 76129-12-9) is a chemical compound with molecular formula C28H29NO5S and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(10-benzylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Also Known As: 10-Benzylthio-10-demethoxy-colchicine, Colchicine, 10-(benzylthio)-10-demethoxy-, 10-(Benzylthio)-10-demethoxycolchicine, 4-14-00-00958 (Beilstein Handbook Reference), Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)thio)benzo(a)heptalen-7-yl)-, (S)-
| Molecular Formula | C28H29NO5S |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.17664 |
| Heavy Atoms | 35 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 76129-12-9 |
|---|---|
| SMILES | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SCC4=CC=CC=C4)OC)OC)OC |
| InChIKey | GBYSTLGOMHZCPZ-UHFFFAOYSA-N |
Product Overview
10-Benzylthio-10-demethoxy-colchicine (CAS 76129-12-9), with molecular formula C28H29NO5S and molecular weight 491.18 g/mol. IUPAC: N-(10-benzylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide.
Chemical Property Profile of 10-Benzylthio-10-demethoxy-colchicine
Property Insights of 10-Benzylthio-10-demethoxy-colchicine
The XLogP value of 4.1 indicates that 10-Benzylthio-10-demethoxy-colchicine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Benzylthio-10-demethoxy-colchicine. Following Lipinski's Rule of Five, 10-Benzylthio-10-demethoxy-colchicine has 1 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 10-Benzylthio-10-demethoxy-colchicine?
The CAS number of 10-Benzylthio-10-demethoxy-colchicine is 76129-12-9.
What is the molecular formula of 10-Benzylthio-10-demethoxy-colchicine?
The molecular formula of 10-Benzylthio-10-demethoxy-colchicine is C28H29NO5S.
What is the molecular weight of 10-Benzylthio-10-demethoxy-colchicine?
The molecular weight of 10-Benzylthio-10-demethoxy-colchicine is 491.18 g/mol.
Where can I buy 10-Benzylthio-10-demethoxy-colchicine?
You can request a quote for 10-Benzylthio-10-demethoxy-colchicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Benzylthio-10-demethoxy-colchicine?
Yes, KEHONG BIO provides custom synthesis services for 10-Benzylthio-10-demethoxy-colchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.