(-)-Allocolchicine
TL;DR: (-)-Allocolchicine (CAS 641-28-1) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (8S)-8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate
Also Known As: Allocolchicine, Allocolchicin, (-)-allocolchicine, 4-14-00-02536 (Beilstein Handbook Reference), 5H-Dibenzo(a,c)cycloheptene-3-carboxylic acid, 6,7-dihydro-5-(acetylamino)-9,10,11-trimethoxy-, methyl ester, (S)-
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 641-28-1 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)OC)OC)OC)OC |
| InChIKey | NMKUAEKKJQYLHK-KRWDZBQOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(-)-Allocolchicine (CAS 641-28-1), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: methyl (8S)-8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate.
Chemical Property Profile of (-)-Allocolchicine
Property Insights of (-)-Allocolchicine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-Allocolchicine. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-Allocolchicine. Following Lipinski's Rule of Five, (-)-Allocolchicine 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 (-)-Allocolchicine?
The CAS number of (-)-Allocolchicine is 641-28-1.
What is the molecular formula of (-)-Allocolchicine?
The molecular formula of (-)-Allocolchicine is C22H25NO6.
What is the molecular weight of (-)-Allocolchicine?
The molecular weight of (-)-Allocolchicine is 399.17 g/mol.
Where can I buy (-)-Allocolchicine?
You can request a quote for (-)-Allocolchicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Allocolchicine?
Yes, KEHONG BIO provides custom synthesis services for (-)-Allocolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.