9-O-Demethylmaritidine
TL;DR: 9-O-Demethylmaritidine (CAS 120139-66-4) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,12S)-5-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene-4,12-diol
Also Known As: 9-O-Demethylmaritidine, 9-O-demethyl-maritidine, 8-O-demethylmaritidine, 8-Methoxy-4,4a-dihydro-3H,6H-5,10b-ethanophenanthridine-3,9-diol, (10S,12S)-5-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene-4,12-diol
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 120139-66-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CN3CCC24[C@@H]3C[C@@H](C=C4)O)O |
| InChIKey | HMGRRBMNYQOSEF-LKCRCUOOSA-N |
Product Overview
9-O-Demethylmaritidine (CAS 120139-66-4), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: (10S,12S)-5-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraene-4,12-diol.
Chemical Property Profile of 9-O-Demethylmaritidine
Property Insights of 9-O-Demethylmaritidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-O-Demethylmaritidine. With a topological polar surface area (TPSA) of 52.9 Ų, 9-O-Demethylmaritidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-O-Demethylmaritidine has 2 hydrogen bond donor(s) and 4 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 9-O-Demethylmaritidine?
The CAS number of 9-O-Demethylmaritidine is 120139-66-4.
What is the molecular formula of 9-O-Demethylmaritidine?
The molecular formula of 9-O-Demethylmaritidine is C16H19NO3.
What is the molecular weight of 9-O-Demethylmaritidine?
The molecular weight of 9-O-Demethylmaritidine is 273.14 g/mol.
Where can I buy 9-O-Demethylmaritidine?
You can request a quote for 9-O-Demethylmaritidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-O-Demethylmaritidine?
Yes, KEHONG BIO provides custom synthesis services for 9-O-Demethylmaritidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.