14-Hydroxycodeine 6-ethylcarbonate
TL;DR: 14-Hydroxycodeine 6-ethylcarbonate (CAS 100657-78-1) is a chemical compound with molecular formula C21H25NO6 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethyl carbonate
Also Known As: 14-Hydroxycodeine 6-ethylcarbonate, Codeine, 14-hydroxy-, 6-ethylcarbonate, Morphinan-6-alpha,14-diol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, 6-ethylcarbonate, Ethyl 14-hydroxy-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl carbonate, Ethyl 14-hydroxy-3-methoxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-6alpha-yl carbonate
| Molecular Formula | C21H25NO6 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 1.7968 |
| Topological Polar Surface Area | 77.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.16818 |
| Heavy Atoms | 28 |
| Complexity | 868.69696 |
Chemical Identifiers
| CAS Number | 100657-78-1 |
|---|---|
| SMILES | CCOC(=O)O[C@H]1C=C[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C)O |
Product Overview
14-Hydroxycodeine 6-ethylcarbonate (CAS 100657-78-1), with molecular formula C21H25NO6 and molecular weight 387.17 g/mol. IUPAC: [(4R,4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethyl carbonate.
Chemical Property Profile of 14-Hydroxycodeine 6-ethylcarbonate
Property Insights of 14-Hydroxycodeine 6-ethylcarbonate
The XLogP value of 1.7968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Hydroxycodeine 6-ethylcarbonate. The TPSA of 77.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Hydroxycodeine 6-ethylcarbonate. Following Lipinski's Rule of Five, 14-Hydroxycodeine 6-ethylcarbonate has 1 hydrogen bond donor(s) and 7 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-Hydroxycodeine 6-ethylcarbonate?
The CAS number of 14-Hydroxycodeine 6-ethylcarbonate is 100657-78-1.
What is the molecular formula of 14-Hydroxycodeine 6-ethylcarbonate?
The molecular formula of 14-Hydroxycodeine 6-ethylcarbonate is C21H25NO6.
What is the molecular weight of 14-Hydroxycodeine 6-ethylcarbonate?
The molecular weight of 14-Hydroxycodeine 6-ethylcarbonate is 387.17 g/mol.
Where can I buy 14-Hydroxycodeine 6-ethylcarbonate?
You can request a quote for 14-Hydroxycodeine 6-ethylcarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxycodeine 6-ethylcarbonate?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxycodeine 6-ethylcarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.