2-Demthyldemecolcine
TL;DR: 2-Demthyldemecolcine (CAS 7359-91-3) is a chemical compound with molecular formula C20H23NO5 and molecular weight 357.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: 2-Demthyldemecolcine, 2-Demethylcolcamine, 2-demethyldemecolcine, (7S)-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, (S)-6,7-Dihydro-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)benzo(a)heptalen-9(5H)-one
| Molecular Formula | C20H23NO5 |
|---|---|
| Molecular Weight | 357.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.15762 |
| Heavy Atoms | 26 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 7359-91-3 |
|---|---|
| SMILES | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC |
| InChIKey | KEOVUWFJHROWNK-AWEZNQCLSA-N |
Product Overview
2-Demthyldemecolcine (CAS 7359-91-3), with molecular formula C20H23NO5 and molecular weight 357.16 g/mol. IUPAC: (7S)-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of 2-Demthyldemecolcine
Property Insights of 2-Demthyldemecolcine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Demthyldemecolcine. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Demthyldemecolcine. Following Lipinski's Rule of Five, 2-Demthyldemecolcine has 2 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 2-Demthyldemecolcine?
The CAS number of 2-Demthyldemecolcine is 7359-91-3.
What is the molecular formula of 2-Demthyldemecolcine?
The molecular formula of 2-Demthyldemecolcine is C20H23NO5.
What is the molecular weight of 2-Demthyldemecolcine?
The molecular weight of 2-Demthyldemecolcine is 357.16 g/mol.
Where can I buy 2-Demthyldemecolcine?
You can request a quote for 2-Demthyldemecolcine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Demthyldemecolcine?
Yes, KEHONG BIO provides custom synthesis services for 2-Demthyldemecolcine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.