1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one
TL;DR: 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one (CAS 63868-36-0) is a chemical compound with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7aR,12bS)-11-bromo-9-hydroxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: Bromocodeinone, Codeinone, bromo-, Morphinan-6-one, 1-bromo-7,8-didehydro-4,5-alpha-epoxy-3-hydroxy-17-methyl-, 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one, 1-Bromo-3-hydroxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-6-one
| Molecular Formula | C17H16BrNO3 |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 2.1688 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 361.03137 |
| Heavy Atoms | 22 |
| Complexity | 758.7612 |
Chemical Identifiers
| CAS Number | 63868-36-0 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C(C=C(C(=C52)O[C@H]3C(=O)C=C4)O)Br |
Product Overview
1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one (CAS 63868-36-0), with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol. IUPAC: (4R,4aR,7aR,12bS)-11-bromo-9-hydroxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
Chemical Property Profile of 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one
Property Insights of 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one
The XLogP value of 2.1688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one. With a topological polar surface area (TPSA) of 49.77 Ų, 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one 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 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one?
The CAS number of 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one is 63868-36-0.
What is the molecular formula of 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one?
The molecular formula of 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one is C17H16BrNO3.
What is the molecular weight of 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one?
The molecular weight of 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one is 361.03 g/mol.
Where can I buy 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one?
You can request a quote for 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.