Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester
TL;DR: Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester (CAS 17959-33-0) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-(3-chloro-2-oxopropyl)carbamate
Also Known As: Hercules 9007, (Chloroacetyl)methylcarbamic acid m-cumenyl ester, CARBAMIC ACID, (CHLOROACETYL)METHYL-, m-CUMENYL ESTER, Carbamic acid, (chloroacetyl)methyl-, 3-(1-methylethyl)phenyl ester, (3-propan-2-ylphenyl) N-(3-chloro-2-oxopropyl)carbamate
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 17959-33-0 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)NCC(=O)CCl |
| InChIKey | WSBNBVCLSWQGIC-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester (CAS 17959-33-0), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: (3-propan-2-ylphenyl) N-(3-chloro-2-oxopropyl)carbamate.
Chemical Property Profile of Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester
Property Insights of Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester
The XLogP value of 3.0 indicates that Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (chloroacetyl)methyl-, m-cumenyl 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, (chloroacetyl)methyl-, m-cumenyl ester?
The CAS number of Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester is 17959-33-0.
What is the molecular formula of Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester?
The molecular formula of Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester is C13H16ClNO3.
What is the molecular weight of Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester?
The molecular weight of Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester is 269.08 g/mol.
Where can I buy Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester?
You can request a quote for Carbamic acid, (chloroacetyl)methyl-, m-cumenyl 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, (chloroacetyl)methyl-, m-cumenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.