Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 40604-27-1) is a chemical compound with molecular formula C14H22ClNO2S and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-phenylsulfanylacetate;hydrochloride
Also Known As: Benzyl L-tryptophanate monohydrochloride, 2-(Diethylamino)ethyl (phenylthio)acetate hydrochloride, Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride, 2-(diethylamino)ethyl(phenylsulfanyl)acetate hydrochloride(1:1), 2-diethylaminoethyl 2-phenylsulfanylacetate hydrochloride
| Molecular Formula | C14H22ClNO2S |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 3.0855 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 303.106 |
| Heavy Atoms | 19 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 40604-27-1 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)CSC1=CC=CC=C1.Cl |
| InChIKey | TYWNXPNWTZAOKQ-UHFFFAOYSA-N |
Product Overview
Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 40604-27-1), with molecular formula C14H22ClNO2S and molecular weight 303.11 g/mol. IUPAC: 2-(diethylamino)ethyl 2-phenylsulfanylacetate;hydrochloride.
Chemical Property Profile of Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of 3.0855 indicates that Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride has 1 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 Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride is 40604-27-1.
What is the molecular formula of Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride is C14H22ClNO2S.
What is the molecular weight of Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride is 303.11 g/mol.
Where can I buy Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (phenylthio)-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.