RefChem:1060303
TL;DR: RefChem:1060303 (CAS 16864-63-4) is a chemical compound with molecular formula C15H22ClNO and molecular weight 267.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Also Known As: KST-1A1982, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-beta-trimethyl-, hydrochloride, (2s,6s)-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol hydrochloride(1:1), beta-2'-Hydroxy-5,9-dimethyl-2(N)-methyl-6,7-benzomorphan hydrochloride, alpha-5,9-Dimethyl-2'-hydroxy-2(N)-methyl-6,7-benzomorphan hydrochloride
| Molecular Formula | C15H22ClNO |
|---|---|
| Molecular Weight | 267.14 g/mol |
| LogP | 2.97 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.13898 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 16864-63-4 |
|---|---|
| SMILES | CC1[C@@H]2CC3=C([C@]1(CCN2C)C)C=C(C=C3)O.Cl |
| InChIKey | DBLLEECZAIUXDF-FAPUKPASSA-N |
Product Overview
RefChem:1060303 (CAS 16864-63-4), with molecular formula C15H22ClNO and molecular weight 267.14 g/mol. IUPAC: (1S,9S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride.
Chemical Property Profile of RefChem:1060303
Property Insights of RefChem:1060303
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060303. With a topological polar surface area (TPSA) of 23.5 Ų, RefChem:1060303 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060303 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:1060303?
The CAS number of RefChem:1060303 is 16864-63-4.
What is the molecular formula of RefChem:1060303?
The molecular formula of RefChem:1060303 is C15H22ClNO.
What is the molecular weight of RefChem:1060303?
The molecular weight of RefChem:1060303 is 267.14 g/mol.
Where can I buy RefChem:1060303?
You can request a quote for RefChem:1060303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060303?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.