Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester
TL;DR: Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester (CAS 94483-57-5) is a chemical compound with molecular formula C11H14ClNO3 and molecular weight 243.07 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-methoxyphenyl)carbamate
Also Known As: Chlorpropham (CIPC) metabolite, Isopropyl N-(3-chloro-4-methoxyphenyl)carbamate, isopropyl (3-chloro-4-methoxyphenyl)carbamate, J1.597.511C, propan-2-yl N-(3-chloro-4-methoxyphenyl)carbamate
| Molecular Formula | C11H14ClNO3 |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.06622 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 94483-57-5 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC(=C(C=C1)OC)Cl |
| InChIKey | DOKXGWJKJLXPHI-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester (CAS 94483-57-5), with molecular formula C11H14ClNO3 and molecular weight 243.07 g/mol. IUPAC: propan-2-yl N-(3-chloro-4-methoxyphenyl)carbamate.
Chemical Property Profile of Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester
Property Insights of Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester
The XLogP value of 3.0 indicates that Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl 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, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester?
The CAS number of Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester is 94483-57-5.
What is the molecular formula of Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester?
The molecular formula of Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester is C11H14ClNO3.
What is the molecular weight of Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester?
The molecular weight of Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester is 243.07 g/mol.
Where can I buy Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester?
You can request a quote for Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl 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, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.