Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester
TL;DR: Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester (CAS 101491-88-7) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-methyl-N-sulfanylcarbamate
Also Known As: starbld0003646, m-Isopropylphenyl N-mercapto-N-methylcarbamate, CARBAMIC ACID, N-MERCAPTO-N-METHYL-, m-ISOPROPYLPHENYL ESTER, (3-propan-2-ylphenyl) N-methyl-N-sulfanylcarbamate, 3-Isopropylphenyl mercapto(methyl)carbamate
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 101491-88-7 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)N(C)S |
| InChIKey | QPJGONVSRFMVHE-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester (CAS 101491-88-7), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: (3-propan-2-ylphenyl) N-methyl-N-sulfanylcarbamate.
Chemical Property Profile of Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester
Property Insights of Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester
The XLogP value of 3.3 indicates that Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester has 1 hydrogen bond donor(s) and 3 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, N-mercapto-N-methyl-, m-isopropylphenyl ester?
The CAS number of Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester is 101491-88-7.
What is the molecular formula of Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester?
The molecular formula of Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester is C11H15NO2S.
What is the molecular weight of Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester?
The molecular weight of Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester is 225.08 g/mol.
Where can I buy Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester?
You can request a quote for Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl 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, N-mercapto-N-methyl-, m-isopropylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-mercapto-N-methyl-, m-isopropylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.