Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester
TL;DR: Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester (CAS 35859-10-0) is a chemical compound with molecular formula C14H21NO2S and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)propan-2-yl 2-(4-methylphenyl)sulfanylacetate
Also Known As: (p-Tolylthio)acetic acid 2-(dimethylamino)-1-methylethyl ester, ACETIC ACID, (p-TOLYLTHIO)-, 2-(DIMETHYLAMINO)-1-METHYLETHYL ESTER, 1-(dimethylamino)propan-2-yl [(4-methylphenyl)sulfanyl]acetate, 1-(dimethylamino)propan-2-yl 2-(4-methylphenyl)sulfanylacetate, BRN 2278257
| Molecular Formula | C14H21NO2S |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.1293 |
| Heavy Atoms | 18 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 35859-10-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)OC(C)CN(C)C |
| InChIKey | AXMZSRADCXGESH-UHFFFAOYSA-N |
Product Overview
Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester (CAS 35859-10-0), with molecular formula C14H21NO2S and molecular weight 267.13 g/mol. IUPAC: 1-(dimethylamino)propan-2-yl 2-(4-methylphenyl)sulfanylacetate.
Chemical Property Profile of Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester
Property Insights of Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester
The XLogP value of 3.2 indicates that Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester 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, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester 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 Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester?
The CAS number of Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester is 35859-10-0.
What is the molecular formula of Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester?
The molecular formula of Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester is C14H21NO2S.
What is the molecular weight of Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester?
The molecular weight of Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester is 267.13 g/mol.
Where can I buy Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester?
You can request a quote for Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (p-tolylthio)-, 2-(dimethylamino)-1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.