Chlorocodeine
TL;DR: Chlorocodeine (CAS 63690-31-3) is a chemical compound with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-11-chloro-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Also Known As: Chlorocodeine, Codeine, chloro-, Morphinan-3,6-alpha-diol, 1-chloro-7,8-didehydro-4,5-alpha-epoxy-17-methyl-, (5R,6s)-1-chloro-7,8-didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol, 1-Chloro-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-3,6alpha-diol
| Molecular Formula | C17H18ClNO3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 1.8515 |
| Topological Polar Surface Area | 52.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 319.09753 |
| Heavy Atoms | 22 |
| Complexity | 718.3459 |
Chemical Identifiers
| CAS Number | 63690-31-3 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C(C=C(C(=C52)O[C@H]3[C@H](C=C4)O)O)Cl |
Product Overview
Chlorocodeine (CAS 63690-31-3), with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-11-chloro-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol.
Chemical Property Profile of Chlorocodeine
Property Insights of Chlorocodeine
The XLogP value of 1.8515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorocodeine. With a topological polar surface area (TPSA) of 52.93 Ų, Chlorocodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorocodeine 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 Chlorocodeine?
The CAS number of Chlorocodeine is 63690-31-3.
What is the molecular formula of Chlorocodeine?
The molecular formula of Chlorocodeine is C17H18ClNO3.
What is the molecular weight of Chlorocodeine?
The molecular weight of Chlorocodeine is 319.10 g/mol.
Where can I buy Chlorocodeine?
You can request a quote for Chlorocodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorocodeine?
Yes, KEHONG BIO provides custom synthesis services for Chlorocodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.