14-Hydroxycodeinone crotonate
TL;DR: 14-Hydroxycodeinone crotonate (CAS 748-36-7) is a chemical compound with molecular formula C22H23NO5 and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] (E)-but-2-enoate
Also Known As: 14-Hydroxycodeinone crotonate, Codeinone, 14-hydroxy-, crotonate, Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, crotonate (ester), RefChem:1057515
| Molecular Formula | C22H23NO5 |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 1.9512 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.15762 |
| Heavy Atoms | 28 |
| Complexity | 950.49066 |
Chemical Identifiers
| CAS Number | 748-36-7 |
|---|---|
| SMILES | C/C=C/C(=O)O[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)OC)O3)C |
Product Overview
14-Hydroxycodeinone crotonate (CAS 748-36-7), with molecular formula C22H23NO5 and molecular weight 381.16 g/mol. IUPAC: [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] (E)-but-2-enoate.
Chemical Property Profile of 14-Hydroxycodeinone crotonate
Property Insights of 14-Hydroxycodeinone crotonate
The XLogP value of 1.9512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Hydroxycodeinone crotonate. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Hydroxycodeinone crotonate. Following Lipinski's Rule of Five, 14-Hydroxycodeinone crotonate has 0 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 14-Hydroxycodeinone crotonate?
The CAS number of 14-Hydroxycodeinone crotonate is 748-36-7.
What is the molecular formula of 14-Hydroxycodeinone crotonate?
The molecular formula of 14-Hydroxycodeinone crotonate is C22H23NO5.
What is the molecular weight of 14-Hydroxycodeinone crotonate?
The molecular weight of 14-Hydroxycodeinone crotonate is 381.16 g/mol.
Where can I buy 14-Hydroxycodeinone crotonate?
You can request a quote for 14-Hydroxycodeinone crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxycodeinone crotonate?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxycodeinone crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.