RefChem:1074732
TL;DR: RefChem:1074732 (CAS 53538-75-3) is a chemical compound with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S)-4-methoxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-ol;hydrochloride
Also Known As: alpha-5,9-Dimethyl-9-hydroxy-2'-methoxy-2(N)-methyl-6,7-benzomorphan hydrochloride, (2s,6r)-8-methoxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-ol hydrochloride(1:1), 2,6-Methano-3-benzazocin-11-beta-ol, 1,2,3,4,5,6-hexahydro-8-methoxy-3,6,11-alpha-trimethyl-, hydrochloride, 8-Methoxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-ol--hydrogen chloride (1/1), (2S,6R)-8-Methoxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-ol--hydrogen chloride (1/1)
| Molecular Formula | C16H24ClNO2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.14957 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 53538-75-3 |
|---|---|
| SMILES | C[C@]12CCN([C@H](C1(C)O)CC3=C2C=C(C=C3)OC)C.Cl |
| InChIKey | QBHMFQIJYXIASZ-NKZKTGFWSA-N |
Product Overview
RefChem:1074732 (CAS 53538-75-3), with molecular formula C16H24ClNO2 and molecular weight 297.15 g/mol. IUPAC: (1R,9S)-4-methoxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-ol;hydrochloride.
Chemical Property Profile of RefChem:1074732
Property Insights of RefChem:1074732
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074732. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:1074732 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074732 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 RefChem:1074732?
The CAS number of RefChem:1074732 is 53538-75-3.
What is the molecular formula of RefChem:1074732?
The molecular formula of RefChem:1074732 is C16H24ClNO2.
What is the molecular weight of RefChem:1074732?
The molecular weight of RefChem:1074732 is 297.15 g/mol.
Where can I buy RefChem:1074732?
You can request a quote for RefChem:1074732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074732?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.