Bromocodeine
TL;DR: Bromocodeine (CAS 49751-17-9) is a chemical compound with molecular formula C17H18BrNO3 and molecular weight 363.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-11-bromo-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Also Known As: Bromocodeine, Codeine, bromo-, Codeine,bromo, 2-27-00-00170 (Beilstein Handbook Reference), Morphinan-3,6-alpha-diol, 1-bromo-7,8-didehydro-4,5-alpha-epoxy-17-methyl-
| Molecular Formula | C17H18BrNO3 |
|---|---|
| Molecular Weight | 363.05 g/mol |
| LogP | 1.9606 |
| Topological Polar Surface Area | 52.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.047 |
| Heavy Atoms | 22 |
| Complexity | 718.3459 |
Chemical Identifiers
| CAS Number | 49751-17-9 |
|---|---|
| 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)Br |
Product Overview
Bromocodeine (CAS 49751-17-9), with molecular formula C17H18BrNO3 and molecular weight 363.05 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-11-bromo-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol.
Chemical Property Profile of Bromocodeine
Property Insights of Bromocodeine
The XLogP value of 1.9606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromocodeine. With a topological polar surface area (TPSA) of 52.93 Ų, Bromocodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromocodeine 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 Bromocodeine?
The CAS number of Bromocodeine is 49751-17-9.
What is the molecular formula of Bromocodeine?
The molecular formula of Bromocodeine is C17H18BrNO3.
What is the molecular weight of Bromocodeine?
The molecular weight of Bromocodeine is 363.05 g/mol.
Where can I buy Bromocodeine?
You can request a quote for Bromocodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromocodeine?
Yes, KEHONG BIO provides custom synthesis services for Bromocodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.