Demecolcine
TL;DR: Demecolcine (CAS 66569-05-9) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: Demecolcine, colcemid, Colchamine, Demecolcin, Desmecolcine
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 66569-05-9 |
|---|---|
| SMILES | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| InChIKey | NNJPGOLRFBJNIW-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demecolcine (CAS 66569-05-9), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of Demecolcine
Property Insights of Demecolcine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demecolcine. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Demecolcine. Following Lipinski's Rule of Five, Demecolcine 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 Demecolcine?
The CAS number of Demecolcine is 66569-05-9.
What is the molecular formula of Demecolcine?
The molecular formula of Demecolcine is C21H25NO5.
What is the molecular weight of Demecolcine?
The molecular weight of Demecolcine is 371.17 g/mol.
Where can I buy Demecolcine?
You can request a quote for Demecolcine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demecolcine?
Yes, KEHONG BIO provides custom synthesis services for Demecolcine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.