Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester
TL;DR: Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester (CAS 2917-19-3) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-butan-2-yl-2-chlorophenyl) N-methylcarbamate
Also Known As: Chevron RE 5655, Cal Chem 5655, Chevron RE-5655, RE 5655, ENT 27,128
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 2917-19-3 |
|---|---|
| SMILES | CCC(C)C1=CC(=C(C=C1)Cl)OC(=O)NC |
| InChIKey | UMLPZOSFQDBWHB-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester (CAS 2917-19-3), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: (5-butan-2-yl-2-chlorophenyl) N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester
Property Insights of Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester
The XLogP value of 3.3 indicates that Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl 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-, 5-sec-butyl-2-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl 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-, 5-sec-butyl-2-chlorophenyl ester?
The CAS number of Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester is 2917-19-3.
What is the molecular formula of Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester?
The molecular formula of Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester is C12H16ClNO2.
What is the molecular weight of Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester?
The molecular weight of Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester is 241.09 g/mol.
Where can I buy Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester?
You can request a quote for Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl 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-, 5-sec-butyl-2-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.