RefChem:248608
TL;DR: RefChem:248608 (CAS 63869-53-4) is a chemical compound with molecular formula C16H22BrNO2 and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,9S,13S)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl] acetate;hydrobromide
Also Known As: alpha-9-Acetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide, 2,6-Methano-3-benzazocin-11-beta-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, acetate (ester), hydrobromide, 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-11-beta-acetoxy-3,6-dimethyl-, HBr, (2S,6S,11S)-3,6-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl acetate--hydrogen bromide (1/1), 2,6-Methano-3-benzazocin-11-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, acetate (ester), hydrobromide, (2.alpha.,6.alpha.,11S*)-
| Molecular Formula | C16H22BrNO2 |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 2.7141 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.0834 |
| Heavy Atoms | 20 |
| Complexity | 518.95325 |
Chemical Identifiers
| CAS Number | 63869-53-4 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]2CC3=CC=CC=C3[C@@]1(CCN2C)C.Br |
Product Overview
RefChem:248608 (CAS 63869-53-4), with molecular formula C16H22BrNO2 and molecular weight 339.08 g/mol. IUPAC: [(1S,9S,13S)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl] acetate;hydrobromide.
Chemical Property Profile of RefChem:248608
Property Insights of RefChem:248608
The XLogP value of 2.7141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:248608. With a topological polar surface area (TPSA) of 29.54 Ų, RefChem:248608 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:248608 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 RefChem:248608?
The CAS number of RefChem:248608 is 63869-53-4.
What is the molecular formula of RefChem:248608?
The molecular formula of RefChem:248608 is C16H22BrNO2.
What is the molecular weight of RefChem:248608?
The molecular weight of RefChem:248608 is 339.08 g/mol.
Where can I buy RefChem:248608?
You can request a quote for RefChem:248608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:248608?
Yes, KEHONG BIO provides custom synthesis services for RefChem:248608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.