RefChem:1057355
TL;DR: RefChem:1057355 (CAS 56711-12-7) is a chemical compound with molecular formula C16H24ClNO and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S)-13-ethyl-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Also Known As: alpha-9-Ethyl-2'-hydroxy-2,5-dimethyl-6,7-benzomorphan hydrochloride, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-11-alpha-ethyl-, hydrochloride, alpha-2'-Hydroxy-9-ethyl-5-methyl-2(N)-methyl-6,7-benzomorphan hydrochloride, beta-2'-Hydroxy-9-ethyl-5-methyl-6,7-benzomorphan hydrochloride, 2,6-Methano-3-benzazocin-8-ol, 3,6-dimethyl-11-alpha-ethyl-1,2,3,4,5,6-hexahydro-, HCl
| Molecular Formula | C16H24ClNO |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 3.36 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.15463 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 56711-12-7 |
|---|---|
| SMILES | CCC1[C@@H]2CC3=C([C@]1(CCN2C)C)C=C(C=C3)O.Cl |
| InChIKey | LVVVYOXHQNDQHK-RFBYGGOYSA-N |
Product Overview
RefChem:1057355 (CAS 56711-12-7), with molecular formula C16H24ClNO and molecular weight 281.15 g/mol. IUPAC: (1S,9S)-13-ethyl-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride.
Chemical Property Profile of RefChem:1057355
Property Insights of RefChem:1057355
The XLogP value of 3.36 indicates that RefChem:1057355 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1057355 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057355 has 2 hydrogen bond donor(s) and 2 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:1057355?
The CAS number of RefChem:1057355 is 56711-12-7.
What is the molecular formula of RefChem:1057355?
The molecular formula of RefChem:1057355 is C16H24ClNO.
What is the molecular weight of RefChem:1057355?
The molecular weight of RefChem:1057355 is 281.15 g/mol.
Where can I buy RefChem:1057355?
You can request a quote for RefChem:1057355 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057355?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057355 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.