9-Demethylprotoemetinol
TL;DR: 9-Demethylprotoemetinol (CAS 84590-09-0) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol
Also Known As: 9-Demethylprotoemetinol, Desmethylprotoemetinol, 9-O-demethylprotoemetinol, (-)-9-Demethylprotoemetinol, 2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 84590-09-0 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CCO)OC)O |
| InChIKey | BQKULDKJGYXIKE-XEZPLFJOSA-N |
Product Overview
9-Demethylprotoemetinol (CAS 84590-09-0), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: (2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol.
Chemical Property Profile of 9-Demethylprotoemetinol
Property Insights of 9-Demethylprotoemetinol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Demethylprotoemetinol. With a topological polar surface area (TPSA) of 52.9 Ų, 9-Demethylprotoemetinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Demethylprotoemetinol 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-Demethylprotoemetinol?
The CAS number of 9-Demethylprotoemetinol is 84590-09-0.
What is the molecular formula of 9-Demethylprotoemetinol?
The molecular formula of 9-Demethylprotoemetinol is C18H27NO3.
What is the molecular weight of 9-Demethylprotoemetinol?
The molecular weight of 9-Demethylprotoemetinol is 305.20 g/mol.
Where can I buy 9-Demethylprotoemetinol?
You can request a quote for 9-Demethylprotoemetinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Demethylprotoemetinol?
Yes, KEHONG BIO provides custom synthesis services for 9-Demethylprotoemetinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.