RefChem:336198
TL;DR: RefChem:336198 (CAS 67239-15-0) is a chemical compound with molecular formula C16H24ClNOS and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(1-phenylcyclopropanecarbonyl)sulfanylethyl]azanium chloride
Also Known As: 1-Phenylcyclopropanecarbothioic acid S-(2-(diethylamino)ethyl) ester hydrochloride, Cyclopropanecarbothioic acid, 1-phenyl-, S-(2-(diethylamino)ethyl) ester, hydrochloride, diethyl-[2-(1-phenylcyclopropanecarbonyl)sulfanylethyl]azanium chloride, Cyclopropanecarbothioic acid, 1-phenyl-, S-[2-(diethylamino)ethyl] ester, hydrochloride, RefChem:336198
| Molecular Formula | C16H24ClNOS |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | -1.09 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.1267 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 67239-15-0 |
|---|---|
| SMILES | CC[NH+](CC)CCSC(=O)C1(CC1)C2=CC=CC=C2.[Cl-] |
| InChIKey | OFGJGABBWLFNFM-UHFFFAOYSA-N |
Product Overview
RefChem:336198 (CAS 67239-15-0), with molecular formula C16H24ClNOS and molecular weight 313.13 g/mol. IUPAC: diethyl-[2-(1-phenylcyclopropanecarbonyl)sulfanylethyl]azanium chloride.
Chemical Property Profile of RefChem:336198
Property Insights of RefChem:336198
The XLogP value of -1.09 indicates that RefChem:336198 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.8 Ų, RefChem:336198 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336198 has 1 hydrogen bond donor(s) and 3 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:336198?
The CAS number of RefChem:336198 is 67239-15-0.
What is the molecular formula of RefChem:336198?
The molecular formula of RefChem:336198 is C16H24ClNOS.
What is the molecular weight of RefChem:336198?
The molecular weight of RefChem:336198 is 313.13 g/mol.
Where can I buy RefChem:336198?
You can request a quote for RefChem:336198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336198?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.