Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester
TL;DR: Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester (CAS 3971-89-9) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4-trimethylphenyl) N-methylcarbamate
Also Known As: 2,3,4-Trimethylphenyl methylcarbamate, Trimethylphenyl methylcarbamate, Phenol, 2,3,4-trimethyl-, methylcarbamate, (2,3,4-trimethylphenyl) N-methylcarbamate, CARBAMIC ACID, METHYL-, 2,3,4-TRIMETHYLPHENYL ESTER
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 3971-89-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)OC(=O)NC)C)C |
| InChIKey | QDTDXNJDLXKLLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester (CAS 3971-89-9), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: (2,3,4-trimethylphenyl) N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester
Property Insights of Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester has 1 hydrogen bond donor(s) and 2 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, methyl-, 2,3,4-trimethylphenyl ester?
The CAS number of Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester is 3971-89-9.
What is the molecular formula of Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester?
The molecular formula of Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester is C11H15NO2.
What is the molecular weight of Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester?
The molecular weight of Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester is 193.11 g/mol.
Where can I buy Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester?
You can request a quote for Carbamic acid, methyl-, 2,3,4-trimethylphenyl 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, methyl-, 2,3,4-trimethylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 2,3,4-trimethylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.