Bab benzomorphan
TL;DR: Bab benzomorphan (CAS 88467-32-7) is a chemical compound with molecular formula C24H29BrN2O2 and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[4-[2-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]ethyl]phenyl]acetamide
Also Known As: Bab benzomorphan, 2-(2-(4-Bromoacetamidophenyl)ethyl)-5,9 alpha-dimethyl-2'-hydroxy-6,7-benzomorphan, 2-Bromo-N-(4-{2-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl]ethyl}phenyl)acetamide, Acetamide, 2-bromo-N-(4-(2-(1,4,5,6-tetrahydro-8-hydroxy-6,11-dimethyl-2,6-methano-3-benzazocin-3(2H)-yl)ethyl)phenyl)-, (2R-(2alpha,6alpha,11R*))-, 2-Bromo-N-(4-{2-[(2R,6R,11R)-8-hydroxy-6,11-dimethyl-1,4,5,6-tetrahydro-2,6-methano-3-benzazocin-3(2H)-yl]ethyl}phenyl)acetamide
| Molecular Formula | C24H29BrN2O2 |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 4.4925 |
| Topological Polar Surface Area | 52.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.14124 |
| Heavy Atoms | 29 |
| Complexity | 898.2537 |
Chemical Identifiers
| CAS Number | 88467-32-7 |
|---|---|
| SMILES | C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CCC4=CC=C(C=C4)NC(=O)CBr)C)C=C(C=C3)O |
Product Overview
Bab benzomorphan (CAS 88467-32-7), with molecular formula C24H29BrN2O2 and molecular weight 456.14 g/mol. IUPAC: 2-bromo-N-[4-[2-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]ethyl]phenyl]acetamide.
Chemical Property Profile of Bab benzomorphan
Property Insights of Bab benzomorphan
The XLogP value of 4.4925 indicates that Bab benzomorphan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.57 Ų, Bab benzomorphan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bab benzomorphan has 2 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 Bab benzomorphan?
The CAS number of Bab benzomorphan is 88467-32-7.
What is the molecular formula of Bab benzomorphan?
The molecular formula of Bab benzomorphan is C24H29BrN2O2.
What is the molecular weight of Bab benzomorphan?
The molecular weight of Bab benzomorphan is 456.14 g/mol.
Where can I buy Bab benzomorphan?
You can request a quote for Bab benzomorphan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bab benzomorphan?
Yes, KEHONG BIO provides custom synthesis services for Bab benzomorphan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.