Colchicine deriv
TL;DR: Colchicine deriv (CAS 76129-16-3) is a chemical compound with molecular formula C22H22F3NO5S and molecular weight 469.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Also Known As: COLCHICINE DERIV, N-Deacetyl-N-TFA-thiocolchicine, N-(Trifluoroacetyl)deacetylthiocolchicine, Colchicine, 10-thio-17,17,17-trifluoro-, Colchicine, 10-demethoxy-10-(methylthio)-17,17,17-trifluoro-
| Molecular Formula | C22H22F3NO5S |
|---|---|
| Molecular Weight | 469.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.11707 |
| Heavy Atoms | 32 |
| Complexity | 838.0 |
Chemical Identifiers
| CAS Number | 76129-16-3 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC |
| InChIKey | LNELBQZKXVASLW-UHFFFAOYSA-N |
Product Overview
Colchicine deriv (CAS 76129-16-3), with molecular formula C22H22F3NO5S and molecular weight 469.12 g/mol. IUPAC: 2,2,2-trifluoro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide.
Chemical Property Profile of Colchicine deriv
Property Insights of Colchicine deriv
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Colchicine deriv. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Colchicine deriv. Following Lipinski's Rule of Five, Colchicine deriv has 1 hydrogen bond donor(s) and 9 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 Colchicine deriv?
The CAS number of Colchicine deriv is 76129-16-3.
What is the molecular formula of Colchicine deriv?
The molecular formula of Colchicine deriv is C22H22F3NO5S.
What is the molecular weight of Colchicine deriv?
The molecular weight of Colchicine deriv is 469.12 g/mol.
Where can I buy Colchicine deriv?
You can request a quote for Colchicine deriv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Colchicine deriv?
Yes, KEHONG BIO provides custom synthesis services for Colchicine deriv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.