Isocolchicine
TL;DR: Isocolchicine (CAS 529-73-7) is a chemical compound with molecular formula C21H25NO7 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7,8,9-tetrahydro-5H-benzo[a]heptalen-7-yl]carbamic acid
Also Known As: Isocolchicine, Isocolchicin, Isocolchicin [German], KST-1A5389, 4-14-00-00961 (Beilstein Handbook Reference)
| Molecular Formula | C21H25NO7 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.16312 |
| Heavy Atoms | 29 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 529-73-7 |
|---|---|
| SMILES | COC1CC2=C(C=CC1=O)C3=C(C(=C(C=C3CC[C@@H]2NC(=O)O)OC)OC)OC |
| InChIKey | NURDHLYYIUKSIR-LBAUFKAWSA-N |
Product Overview
Isocolchicine (CAS 529-73-7), with molecular formula C21H25NO7 and molecular weight 403.16 g/mol. IUPAC: [(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7,8,9-tetrahydro-5H-benzo[a]heptalen-7-yl]carbamic acid.
Chemical Property Profile of Isocolchicine
Property Insights of Isocolchicine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocolchicine. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocolchicine. Following Lipinski's Rule of Five, Isocolchicine 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 Isocolchicine?
The CAS number of Isocolchicine is 529-73-7.
What is the molecular formula of Isocolchicine?
The molecular formula of Isocolchicine is C21H25NO7.
What is the molecular weight of Isocolchicine?
The molecular weight of Isocolchicine is 403.16 g/mol.
Where can I buy Isocolchicine?
You can request a quote for Isocolchicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocolchicine?
Yes, KEHONG BIO provides custom synthesis services for Isocolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.