alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide
TL;DR: alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide (CAS 63869-38-5) is a chemical compound with molecular formula C18H24BrNO4 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,9S,13S)-4-acetyloxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl] acetate;hydrobromide
Also Known As: alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide, 2,6-Methano-3-benzazocine-8,11-beta-diol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, diacetate (ester), hydrobromide, 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-8,11-beta-diacetoxy-3,6-dimethyl-, HBr, (2S,6S,11S)-3,6-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine-8,11-diyl diacetate--hydrogen bromide (1/1), 2,6-Methano-3-benzazocine-8,11-diol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, diacetate (ester), hydrobromide, (2.alpha.,6.alpha.,11S*)-
| Molecular Formula | C18H24BrNO4 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 2.6394 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.08887 |
| Heavy Atoms | 24 |
| Complexity | 662.4189 |
Chemical Identifiers
| CAS Number | 63869-38-5 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)OC(=O)C.Br |
Product Overview
alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide (CAS 63869-38-5), with molecular formula C18H24BrNO4 and molecular weight 397.09 g/mol. IUPAC: [(1S,9S,13S)-4-acetyloxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl] acetate;hydrobromide.
Chemical Property Profile of alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide
Property Insights of alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide
The XLogP value of 2.6394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide. With a topological polar surface area (TPSA) of 55.84 Ų, alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide has 0 hydrogen bond donor(s) and 5 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 alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide?
The CAS number of alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide is 63869-38-5.
What is the molecular formula of alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide?
The molecular formula of alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide is C18H24BrNO4.
What is the molecular weight of alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide?
The molecular weight of alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide is 397.09 g/mol.
Where can I buy alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide?
You can request a quote for alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for alpha-2',9-Diacetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.