Phenyl 3,4-dichlorocarbanilate
TL;DR: Phenyl 3,4-dichlorocarbanilate (CAS 57148-27-3) is a chemical compound with molecular formula C13H9Cl2NO2 and molecular weight 281.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-(3,4-dichlorophenyl)carbamate
Also Known As: Phenyl 3,4-dichlorocarbanilate, phenyl N-(3,4-dichlorophenyl)carbamate, Phenyl 3,4-dichlorophenylcarbamate, phenyl (3,4-dichlorophenyl)carbamate, 3,4-Dichlorophenylcarbamic acid phenyl ester
| Molecular Formula | C13H9Cl2NO2 |
|---|---|
| Molecular Weight | 281.00 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.00104 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 57148-27-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | MVXLHYKEKXUFFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 3,4-dichlorocarbanilate (CAS 57148-27-3), with molecular formula C13H9Cl2NO2 and molecular weight 281.00 g/mol. IUPAC: phenyl N-(3,4-dichlorophenyl)carbamate.
Chemical Property Profile of Phenyl 3,4-dichlorocarbanilate
Property Insights of Phenyl 3,4-dichlorocarbanilate
The XLogP value of 5.3 indicates that Phenyl 3,4-dichlorocarbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Phenyl 3,4-dichlorocarbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 3,4-dichlorocarbanilate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl 3,4-dichlorocarbanilate?
The CAS number of Phenyl 3,4-dichlorocarbanilate is 57148-27-3.
What is the molecular formula of Phenyl 3,4-dichlorocarbanilate?
The molecular formula of Phenyl 3,4-dichlorocarbanilate is C13H9Cl2NO2.
What is the molecular weight of Phenyl 3,4-dichlorocarbanilate?
The molecular weight of Phenyl 3,4-dichlorocarbanilate is 281.00 g/mol.
Where can I buy Phenyl 3,4-dichlorocarbanilate?
You can request a quote for Phenyl 3,4-dichlorocarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3,4-dichlorocarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3,4-dichlorocarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.