alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide
TL;DR: alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide (CAS 63870-13-3) is a chemical compound with molecular formula C24H30BrNO2 and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,9S,13R)-1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] acetate;hydrobromide
Also Known As: alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-alpha-dimethyl-3-phenethyl-, acetate (ester), hydrobromide, (2S,6R,11R)-6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-yl acetate--hydrogen bromide (1/1), 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-phenylethyl)-, acetate (ester), hydrobromide, (2.alpha.,6.alpha.,11R*)-, RefChem:248615
| Molecular Formula | C24H30BrNO2 |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 4.9567 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.146 |
| Heavy Atoms | 28 |
| Complexity | 837.7537 |
Chemical Identifiers
| CAS Number | 63870-13-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)OC(=O)C.Br |
Product Overview
alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide (CAS 63870-13-3), with molecular formula C24H30BrNO2 and molecular weight 443.15 g/mol. IUPAC: [(1R,9S,13R)-1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] acetate;hydrobromide.
Chemical Property Profile of alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide
Property Insights of alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide
The XLogP value of 4.9567 indicates that alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide has 0 hydrogen bond donor(s) and 3 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'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide?
The CAS number of alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide is 63870-13-3.
What is the molecular formula of alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide?
The molecular formula of alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide is C24H30BrNO2.
What is the molecular weight of alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide?
The molecular weight of alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide is 443.15 g/mol.
Where can I buy alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide?
You can request a quote for alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-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'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for alpha-2'-Acetoxy-5,9-dimethyl-2(N)-phenethyl-6,7-benzomorphan hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.