RefChem:1068153
TL;DR: RefChem:1068153 (CAS 23007-86-5) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrochloride
Also Known As: 2-Methyl-6,7-benzomorphan hydrochloride, 1,2,3,4,5,6-Hexahydro-3-methyl-2,6-methano-3-benzazocine hydrochloride, 2-((3-Ethylaminopropyl)amino)ethanethiol dihydrochloride, 3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine hydrochloride(1:1), 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-methyl-, hydrochloride
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 2.84 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 23007-86-5 |
|---|---|
| SMILES | CN1CCC2CC1CC3=CC=CC=C23.Cl |
| InChIKey | GTILQXXTQIRYGJ-UHFFFAOYSA-N |
Product Overview
RefChem:1068153 (CAS 23007-86-5), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene;hydrochloride.
Chemical Property Profile of RefChem:1068153
Property Insights of RefChem:1068153
The XLogP value of 2.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068153. With a topological polar surface area (TPSA) of 3.2 Ų, RefChem:1068153 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1068153 has 1 hydrogen bond donor(s) and 1 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:1068153?
The CAS number of RefChem:1068153 is 23007-86-5.
What is the molecular formula of RefChem:1068153?
The molecular formula of RefChem:1068153 is C13H18ClN.
What is the molecular weight of RefChem:1068153?
The molecular weight of RefChem:1068153 is 223.11 g/mol.
Where can I buy RefChem:1068153?
You can request a quote for RefChem:1068153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068153?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.