4-(3-Chloro-2-cyanoanilino)phenyl acetate
TL;DR: 4-(3-Chloro-2-cyanoanilino)phenyl acetate (CAS 866154-00-9) is a chemical compound with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-chloro-2-cyanoanilino)phenyl] acetate
Also Known As: 4-(3-chloro-2-cyanoanilino)phenyl acetate, [4-(3-chloro-2-cyanoanilino)phenyl] acetate, 4-[(3-chloro-2-cyanophenyl)amino]phenyl acetate, [4-(3-chloro-2-cyano-anilino)phenyl] acetate, 4-[(3-chloro-2-cyanophenyl)amino]phenylacetate
| Molecular Formula | C15H11ClN2O2 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 3.88058 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0509 |
| Heavy Atoms | 20 |
| Complexity | 675.2631 |
Chemical Identifiers
| CAS Number | 866154-00-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)NC2=C(C(=CC=C2)Cl)C#N |
Product Overview
4-(3-Chloro-2-cyanoanilino)phenyl acetate (CAS 866154-00-9), with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol. IUPAC: [4-(3-chloro-2-cyanoanilino)phenyl] acetate.
Chemical Property Profile of 4-(3-Chloro-2-cyanoanilino)phenyl acetate
Property Insights of 4-(3-Chloro-2-cyanoanilino)phenyl acetate
The XLogP value of 3.88058 indicates that 4-(3-Chloro-2-cyanoanilino)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Chloro-2-cyanoanilino)phenyl acetate. Following Lipinski's Rule of Five, 4-(3-Chloro-2-cyanoanilino)phenyl acetate has 1 hydrogen bond donor(s) and 4 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 4-(3-Chloro-2-cyanoanilino)phenyl acetate?
The CAS number of 4-(3-Chloro-2-cyanoanilino)phenyl acetate is 866154-00-9.
What is the molecular formula of 4-(3-Chloro-2-cyanoanilino)phenyl acetate?
The molecular formula of 4-(3-Chloro-2-cyanoanilino)phenyl acetate is C15H11ClN2O2.
What is the molecular weight of 4-(3-Chloro-2-cyanoanilino)phenyl acetate?
The molecular weight of 4-(3-Chloro-2-cyanoanilino)phenyl acetate is 286.05 g/mol.
Where can I buy 4-(3-Chloro-2-cyanoanilino)phenyl acetate?
You can request a quote for 4-(3-Chloro-2-cyanoanilino)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloro-2-cyanoanilino)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-2-cyanoanilino)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.