Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester
TL;DR: Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester (CAS 1020-35-5) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-butan-2-yl-4-methylphenyl) N-methylcarbamate
Also Known As: 5-sec-Butyl-4-tolyl methylcarbamate, BAY 62862, AI3-27475, 3-sec-Butyl-p-tolyl=N-methylcarbamate, 4-Methyl-3-(1-methylpropyl)phenol methylcarbamate
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 1020-35-5 |
|---|---|
| SMILES | CCC(C)C1=C(C=CC(=C1)OC(=O)NC)C |
| InChIKey | XKYLVMVPFHKXRJ-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester (CAS 1020-35-5), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: (3-butan-2-yl-4-methylphenyl) N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester
Property Insights of Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester
The XLogP value of 3.7 indicates that Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 3-sec-butyl-p-tolyl 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-, 3-sec-butyl-p-tolyl ester?
The CAS number of Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester is 1020-35-5.
What is the molecular formula of Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester?
The molecular formula of Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester is C13H19NO2.
What is the molecular weight of Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester?
The molecular weight of Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester is 221.14 g/mol.
Where can I buy Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester?
You can request a quote for Carbamic acid, methyl-, 3-sec-butyl-p-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, methyl-, 3-sec-butyl-p-tolyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 3-sec-butyl-p-tolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.