RefChem:307194
TL;DR: RefChem:307194 (CAS 66968-13-6) is a chemical compound with molecular formula C19H28ClNO and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-cyclopentyl-7-methyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenol chloride
Also Known As: 6-Azabicyclo(3.2.1)octane, 6-cyclopentyl-1-(m-hydroxyphenyl)-7-methyl-, hydrochloride, 6-Cyclopentyl-1-(m-hydroxyphenyl)-7-methyl-6-azabicyclo(3.2.1)octane hydrochloride, 3-(7-cyclopentyl-6-methyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenol chloride, Phenol, 3-(6-cyclopentyl-7-methyl-6-azabicyclo[3.2.1]oct-1-yl)-, hydrochloride, RefChem:307194
| Molecular Formula | C19H28ClNO |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | -0.19 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.18594 |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 66968-13-6 |
|---|---|
| SMILES | CC1C2(CCCC(C2)[NH+]1C3CCCC3)C4=CC(=CC=C4)O.[Cl-] |
| InChIKey | BPCWVZBSCNFVNY-UHFFFAOYSA-N |
Product Overview
RefChem:307194 (CAS 66968-13-6), with molecular formula C19H28ClNO and molecular weight 321.19 g/mol. IUPAC: 3-(6-cyclopentyl-7-methyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenol chloride.
Chemical Property Profile of RefChem:307194
Property Insights of RefChem:307194
The XLogP value of -0.19 indicates that RefChem:307194 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, RefChem:307194 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:307194 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:307194?
The CAS number of RefChem:307194 is 66968-13-6.
What is the molecular formula of RefChem:307194?
The molecular formula of RefChem:307194 is C19H28ClNO.
What is the molecular weight of RefChem:307194?
The molecular weight of RefChem:307194 is 321.19 g/mol.
Where can I buy RefChem:307194?
You can request a quote for RefChem:307194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:307194?
Yes, KEHONG BIO provides custom synthesis services for RefChem:307194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.