Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
TL;DR: Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester (CAS 35859-03-1) is a chemical compound with molecular formula C13H19NO2S and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethylamino)propan-2-yl 2-phenylsulfanylacetate
Also Known As: (Phenylthio)acetic acid 2-(dimethylamino)-1-methylethyl ester, ACETIC ACID, (PHENYLTHIO)-, 2-(DIMETHYLAMINO)-1-METHYLETHYL ESTER, 1-(dimethylamino)propan-2-yl (phenylsulfanyl)acetate, 1-(dimethylamino)propan-2-yl 2-phenylsulfanylacetate, RefChem:1075674
| Molecular Formula | C13H19NO2S |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.11365 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 35859-03-1 |
|---|---|
| SMILES | CC(CN(C)C)OC(=O)CSC1=CC=CC=C1 |
| InChIKey | KBMNZFKXMZBZQO-UHFFFAOYSA-N |
Product Overview
Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester (CAS 35859-03-1), with molecular formula C13H19NO2S and molecular weight 253.11 g/mol. IUPAC: 1-(dimethylamino)propan-2-yl 2-phenylsulfanylacetate.
Chemical Property Profile of Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
Property Insights of Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester. With a topological polar surface area (TPSA) of 54.8 Ų, Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (phenylthio)-, 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, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester?
The CAS number of Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester is 35859-03-1.
What is the molecular formula of Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester?
The molecular formula of Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester is C13H19NO2S.
What is the molecular weight of Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester?
The molecular weight of Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester is 253.11 g/mol.
Where can I buy Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester?
You can request a quote for Acetic acid, (phenylthio)-, 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, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.