Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride
TL;DR: Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride (CAS 57554-34-4) is a chemical compound with molecular formula C18H28ClNOS and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-(diethylamino)ethyl]phenyl]cyclopentane-1-carbothioic S-acid;hydrochloride
Also Known As: Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride, 1-Phenylcyclopentanecarbothioic acid O-ester with 2-(diethylamino)etanol hydrochloride, 1-[2-(2-diethylaminoethyl)phenyl]cyclopentane-1-carbothioic S-acid hydrochloride, Cyclopentanecarbothioic acid, 1-phenyl-, O-[2-(diethylamino)ethyl] ester, hydrochloride, 1-{2-[2-(Diethylamino)ethyl]phenyl}cyclopentane-1-carbothioic S-acid--hydrogen chloride (1/1)
| Molecular Formula | C18H28ClNOS |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 4.2609 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.15802 |
| Heavy Atoms | 22 |
| Complexity | 481.73044 |
Chemical Identifiers
| CAS Number | 57554-34-4 |
|---|---|
| SMILES | CCN(CC)CCC1=CC=CC=C1C2(CCCC2)C(=O)S.Cl |
Product Overview
Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride (CAS 57554-34-4), with molecular formula C18H28ClNOS and molecular weight 341.16 g/mol. IUPAC: 1-[2-[2-(diethylamino)ethyl]phenyl]cyclopentane-1-carbothioic S-acid;hydrochloride.
Chemical Property Profile of Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride
Property Insights of Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride
The XLogP value of 4.2609 indicates that Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride has 1 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 Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
The CAS number of Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride is 57554-34-4.
What is the molecular formula of Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
The molecular formula of Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride is C18H28ClNOS.
What is the molecular weight of Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
The molecular weight of Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride is 341.16 g/mol.
Where can I buy Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
You can request a quote for Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.