o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride
TL;DR: o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride (CAS 14188-02-4) is a chemical compound with molecular formula C18H22ClNO2S and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-(phenylsulfanylmethyl)benzoate;hydrochloride
Also Known As: o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride, alpha-(Phenylthio)-o-toluic acid 2-(dimethylamino)ethyl ester hydrochloride, 2-dimethylaminoethyl 2-(phenylsulfanylmethyl)benzoate hydrochloride, 2-(Dimethylamino)ethyl 2-[(phenylsulfanyl)methyl]benzoate--hydrogen chloride (1/1), RefChem:366573
| Molecular Formula | C18H22ClNO2S |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 4.1191 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 351.106 |
| Heavy Atoms | 23 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 14188-02-4 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=CC=CC=C1CSC2=CC=CC=C2.Cl |
| InChIKey | UQXSSZKFPFRLOY-UHFFFAOYSA-N |
Product Overview
o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride (CAS 14188-02-4), with molecular formula C18H22ClNO2S and molecular weight 351.11 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(phenylsulfanylmethyl)benzoate;hydrochloride.
Chemical Property Profile of o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride
Property Insights of o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride
The XLogP value of 4.1191 indicates that o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)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, o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)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 o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride?
The CAS number of o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride is 14188-02-4.
What is the molecular formula of o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride?
The molecular formula of o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride is C18H22ClNO2S.
What is the molecular weight of o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride?
The molecular weight of o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride is 351.11 g/mol.
Where can I buy o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride?
You can request a quote for o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)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 o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, alpha-(phenylthio)-, 2-(dimethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.