RefChem:1060301
TL;DR: RefChem:1060301 (CAS 56711-09-2) 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)-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Also Known As: KST-1A6229, beta-2'-Hydroxy-6-ethyl-9-methyl-6,7-benzomorphan hydrochloride, (2s,6s)-6-ethyl-3,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol hydrochloride(1:1), 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,11-beta-dimethyl-6-ethyl-, hydrochloride, (2S,6S)-6-Ethyl-3,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol--hydrogen chloride (1/1)
| 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 | 56711-09-2 |
|---|---|
| SMILES | CC[C@]12CCN([C@H](C1C)CC3=C2C=C(C=C3)O)C.Cl |
| InChIKey | DXEHSRSNFIZNLF-BGPBMBKKSA-N |
Product Overview
RefChem:1060301 (CAS 56711-09-2), with molecular formula C16H24ClNO and molecular weight 281.15 g/mol. IUPAC: (1S,9S)-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride.
Chemical Property Profile of RefChem:1060301
Property Insights of RefChem:1060301
The XLogP value of 3.36 indicates that RefChem:1060301 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:1060301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060301 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:1060301?
The CAS number of RefChem:1060301 is 56711-09-2.
What is the molecular formula of RefChem:1060301?
The molecular formula of RefChem:1060301 is C16H24ClNO.
What is the molecular weight of RefChem:1060301?
The molecular weight of RefChem:1060301 is 281.15 g/mol.
Where can I buy RefChem:1060301?
You can request a quote for RefChem:1060301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060301?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.