1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one
TL;DR: 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one (CAS 5185-79-5) is a chemical compound with molecular formula C18H20BrNO3 and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-bromo-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: bromo-methoxy-methyl-[?]one, 1-bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one, 11-Bromo-9-methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinolin-7-one
| Molecular Formula | C18H20BrNO3 |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.06265 |
| Heavy Atoms | 23 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 5185-79-5 |
|---|---|
| SMILES | CN1CCC23C4C1CC5=C(C=C(C(=C52)OC3C(=O)CC4)OC)Br |
| InChIKey | YZPIZCZVRQNQEA-UHFFFAOYSA-N |
Product Overview
1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one (CAS 5185-79-5), with molecular formula C18H20BrNO3 and molecular weight 377.06 g/mol. IUPAC: 11-bromo-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
Chemical Property Profile of 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one
Property Insights of 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one. With a topological polar surface area (TPSA) of 38.8 Ų, 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one has 0 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-methoxy-17-methyl-4,5-epoxymorphinan-6-one?
The CAS number of 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one is 5185-79-5.
What is the molecular formula of 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one?
The molecular formula of 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one is C18H20BrNO3.
What is the molecular weight of 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one?
The molecular weight of 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one is 377.06 g/mol.
Where can I buy 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one?
You can request a quote for 1-Bromo-3-methoxy-17-methyl-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-methoxy-17-methyl-4,5-epoxymorphinan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.