RefChem:335936
TL;DR: RefChem:335936 (CAS 101330-08-9) is a chemical compound with molecular formula C18H28ClNO2S and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 1-phenylsulfanylcyclopentane-1-carboxylate;hydrochloride
Also Known As: 1-(Phenylthio)cyclopentanecarboxylic acid 2-(diethylamino)ethyl ester hydrochloride, Cyclopentanecarboxylic acid, 1-(phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride, 2-diethylaminoethyl 1-phenylsulfanylcyclopentane-1-carboxylate hydrochloride, 2-(Diethylamino)ethyl 1-(phenylsulfanyl)cyclopentane-1-carboxylate--hydrogen chloride (1/1), 2-(diethylamino)ethyl 1-phenylsulfanylcyclopentane-1-carboxylate,hydrochloride
| Molecular Formula | C18H28ClNO2S |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 4.3983 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.15292 |
| Heavy Atoms | 23 |
| Complexity | 459.3492 |
Chemical Identifiers
| CAS Number | 101330-08-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1(CCCC1)SC2=CC=CC=C2.Cl |
Product Overview
RefChem:335936 (CAS 101330-08-9), with molecular formula C18H28ClNO2S and molecular weight 357.15 g/mol. IUPAC: 2-(diethylamino)ethyl 1-phenylsulfanylcyclopentane-1-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:335936
Property Insights of RefChem:335936
The XLogP value of 4.3983 indicates that RefChem:335936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, RefChem:335936 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335936 has 0 hydrogen bond donor(s) and 4 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:335936?
The CAS number of RefChem:335936 is 101330-08-9.
What is the molecular formula of RefChem:335936?
The molecular formula of RefChem:335936 is C18H28ClNO2S.
What is the molecular weight of RefChem:335936?
The molecular weight of RefChem:335936 is 357.15 g/mol.
Where can I buy RefChem:335936?
You can request a quote for RefChem:335936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335936?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.