Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester
TL;DR: Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester (CAS 5716-33-6) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-4-methylsulfanylphenyl) N-acetyl-N-methylcarbamate
Also Known As: 4-(Methylthio)-m-tolyl acetylmethylcarbamate, Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester, Carbamic acid, acetylmethyl-, 4-(methylthio)-3-methylphenyl ester, (3-methyl-4-methylsulfanylphenyl) N-acetyl-N-methylcarbamate, 3-methyl-4-(methylsulfanyl)phenyl acetyl(methyl)carbamate
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5716-33-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(=O)N(C)C(=O)C)SC |
| InChIKey | ZAPSGMRCANDGSH-UHFFFAOYSA-N |
Product Overview
Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester (CAS 5716-33-6), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: (3-methyl-4-methylsulfanylphenyl) N-acetyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester
Property Insights of Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester. Following Lipinski's Rule of Five, Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl 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 Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester?
The CAS number of Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester is 5716-33-6.
What is the molecular formula of Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester?
The molecular formula of Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester is C12H15NO3S.
What is the molecular weight of Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester?
The molecular weight of Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester is 253.08 g/mol.
Where can I buy Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester?
You can request a quote for Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, acetylmethyl-, 4-(methylthio)-m-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.