trans-Codeine hydrobromide
TL;DR: trans-Codeine hydrobromide (CAS 16206-71-6) is a chemical compound with molecular formula C18H22BrNO3 and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrobromide
Also Known As: trans-Codeine hydrobromide, Codeine hydrobromide, (+)-3-Methoxy-6-alpha-hydroxy-4,5-alpha-epoxy-delta(sup 7)-N-methylisomorphinan HBr, 14-alpha-Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, hydrobromide, 3-Methoxy-17-methyl-5alpha,14alpha-7,8-didehydro-4,5-epoxymorphinan-6alpha-ol--hydrogen bromide (1/1)
| Molecular Formula | C18H22BrNO3 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 2.079 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.0783 |
| Heavy Atoms | 23 |
| Complexity | 691.0894 |
Chemical Identifiers
| CAS Number | 16206-71-6 |
|---|---|
| SMILES | CN1CC[C@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.Br |
Product Overview
trans-Codeine hydrobromide (CAS 16206-71-6), with molecular formula C18H22BrNO3 and molecular weight 379.08 g/mol. IUPAC: (4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrobromide.
Chemical Property Profile of trans-Codeine hydrobromide
Property Insights of trans-Codeine hydrobromide
The XLogP value of 2.079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Codeine hydrobromide. With a topological polar surface area (TPSA) of 41.93 Ų, trans-Codeine hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Codeine hydrobromide has 1 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 trans-Codeine hydrobromide?
The CAS number of trans-Codeine hydrobromide is 16206-71-6.
What is the molecular formula of trans-Codeine hydrobromide?
The molecular formula of trans-Codeine hydrobromide is C18H22BrNO3.
What is the molecular weight of trans-Codeine hydrobromide?
The molecular weight of trans-Codeine hydrobromide is 379.08 g/mol.
Where can I buy trans-Codeine hydrobromide?
You can request a quote for trans-Codeine hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Codeine hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for trans-Codeine hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.