Isopropyl 3-chloro-4-methylphenylcarbamate
TL;DR: Isopropyl 3-chloro-4-methylphenylcarbamate (CAS 200060-96-4) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-(3-chloro-4-methylphenyl)carbamate
Also Known As: NCIOpen2_004578, isopropyl 3-chloro-4-methylphenylcarbamate, isopropyl N-(3-chloro-4-methylphenyl)carbamate, Isopropyl (3-chloro-4-methylphenyl)carbamate, propan-2-yl N-(3-chloro-4-methylphenyl)carbamate
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 200060-96-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OC(C)C)Cl |
| InChIKey | PJUNGEJMHKZHAV-UHFFFAOYSA-N |
Product Overview
Isopropyl 3-chloro-4-methylphenylcarbamate (CAS 200060-96-4), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: propan-2-yl N-(3-chloro-4-methylphenyl)carbamate.
Chemical Property Profile of Isopropyl 3-chloro-4-methylphenylcarbamate
Property Insights of Isopropyl 3-chloro-4-methylphenylcarbamate
The XLogP value of 3.9 indicates that Isopropyl 3-chloro-4-methylphenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Isopropyl 3-chloro-4-methylphenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-chloro-4-methylphenylcarbamate 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 Isopropyl 3-chloro-4-methylphenylcarbamate?
The CAS number of Isopropyl 3-chloro-4-methylphenylcarbamate is 200060-96-4.
What is the molecular formula of Isopropyl 3-chloro-4-methylphenylcarbamate?
The molecular formula of Isopropyl 3-chloro-4-methylphenylcarbamate is C11H14ClNO2.
What is the molecular weight of Isopropyl 3-chloro-4-methylphenylcarbamate?
The molecular weight of Isopropyl 3-chloro-4-methylphenylcarbamate is 227.07 g/mol.
Where can I buy Isopropyl 3-chloro-4-methylphenylcarbamate?
You can request a quote for Isopropyl 3-chloro-4-methylphenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-chloro-4-methylphenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-chloro-4-methylphenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.