beta-Chlorocodide
TL;DR: beta-Chlorocodide (CAS 466-95-5) is a chemical compound with molecular formula C18H20ClNO2 and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,5S,7aS,12bS)-5-chloro-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Also Known As: beta-Chlorocodide, Codide, beta-chloro-, Pseudocodeine, 8-beta-chloro-8-deoxy-, Morphinan, 8-beta-chloro-6,7-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, 8beta-Chloro-6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan
| Molecular Formula | C18H20ClNO2 |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.7476 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.11826 |
| Heavy Atoms | 22 |
| Complexity | 687.9099 |
Chemical Identifiers
| CAS Number | 466-95-5 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4C=C[C@@H]([C@H]2[C@H]1CC5=C3C(=C(C=C5)OC)O4)Cl |
Product Overview
beta-Chlorocodide (CAS 466-95-5), with molecular formula C18H20ClNO2 and molecular weight 317.12 g/mol. IUPAC: (4R,4aR,5S,7aS,12bS)-5-chloro-9-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.
Chemical Property Profile of beta-Chlorocodide
Property Insights of beta-Chlorocodide
The XLogP value of 2.7476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Chlorocodide. With a topological polar surface area (TPSA) of 21.7 Ų, beta-Chlorocodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Chlorocodide has 0 hydrogen bond donor(s) and 3 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 beta-Chlorocodide?
The CAS number of beta-Chlorocodide is 466-95-5.
What is the molecular formula of beta-Chlorocodide?
The molecular formula of beta-Chlorocodide is C18H20ClNO2.
What is the molecular weight of beta-Chlorocodide?
The molecular weight of beta-Chlorocodide is 317.12 g/mol.
Where can I buy beta-Chlorocodide?
You can request a quote for beta-Chlorocodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Chlorocodide?
Yes, KEHONG BIO provides custom synthesis services for beta-Chlorocodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.