苯基 N-(4-氯苯基)氨基甲酸酯
TL;DR: 苯基 N-(4-氯苯基)氨基甲酸酯 (CAS 87050-83-7) is a chemical compound with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基 N-(4-氯苯基)氨基甲酸酯
phenyl N-(4-chlorophenyl)carbamate
Also Known As: phenyl N-(4-chlorophenyl)carbamate, Phenyl (4-chlorophenyl)carbamate, phenyl(4-chlorophenyl)carbamate, PHENYL 4-CHLOROPHENYLCARBAMATE, 4-Chlorophenylcarbamic acid phenyl ester
| Molecular Formula | C13H10ClNO2 |
|---|---|
| Molecular Weight | 247.04 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 | 247.04001 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 87050-83-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | ZHHRCXDYWBPEDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基 N-(4-氯苯基)氨基甲酸酯 (CAS 87050-83-7), with molecular formula C13H10ClNO2 and molecular weight 247.04 g/mol. IUPAC: phenyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 苯基 N-(4-氯苯基)氨基甲酸酯
Property Insights of 苯基 N-(4-氯苯基)氨基甲酸酯
The XLogP value of 3.9 indicates that 苯基 N-(4-氯苯基)氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 苯基 N-(4-氯苯基)氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基 N-(4-氯苯基)氨基甲酸酯 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 苯基 N-(4-氯苯基)氨基甲酸酯?
The CAS number of 苯基 N-(4-氯苯基)氨基甲酸酯 is 87050-83-7.
What is the molecular formula of 苯基 N-(4-氯苯基)氨基甲酸酯?
The molecular formula of 苯基 N-(4-氯苯基)氨基甲酸酯 is C13H10ClNO2.
What is the molecular weight of 苯基 N-(4-氯苯基)氨基甲酸酯?
The molecular weight of 苯基 N-(4-氯苯基)氨基甲酸酯 is 247.04 g/mol.
Where can I buy 苯基 N-(4-氯苯基)氨基甲酸酯?
You can request a quote for 苯基 N-(4-氯苯基)氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基 N-(4-氯苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苯基 N-(4-氯苯基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.