O-Demethylhemanthamine
TL;DR: O-Demethylhemanthamine (CAS 23610-70-0) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13S,15S,19R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-15,19-diol
Also Known As: O-Demethylhemanthamine, 11-Hydroxyvittatine, 1,2-Didehydrocrinan-3,12-diol, (5xi,12R)-13beta-1,2-Didehydrocrinan-3beta,12-diol
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 23610-70-0 |
|---|---|
| SMILES | C1[C@@H](C=CC23[C@H]1N(CC4=CC5=C(C=C42)OCO5)[C@@H](C3)O)O |
| InChIKey | IWPNLVDZKWECKG-WSQPDKAHSA-N |
Product Overview
O-Demethylhemanthamine (CAS 23610-70-0), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: (13S,15S,19R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-15,19-diol.
Chemical Property Profile of O-Demethylhemanthamine
Property Insights of O-Demethylhemanthamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Demethylhemanthamine. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Demethylhemanthamine. Following Lipinski's Rule of Five, O-Demethylhemanthamine has 2 hydrogen bond donor(s) and 5 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 O-Demethylhemanthamine?
The CAS number of O-Demethylhemanthamine is 23610-70-0.
What is the molecular formula of O-Demethylhemanthamine?
The molecular formula of O-Demethylhemanthamine is C16H17NO4.
What is the molecular weight of O-Demethylhemanthamine?
The molecular weight of O-Demethylhemanthamine is 287.12 g/mol.
Where can I buy O-Demethylhemanthamine?
You can request a quote for O-Demethylhemanthamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Demethylhemanthamine?
Yes, KEHONG BIO provides custom synthesis services for O-Demethylhemanthamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.