4-Amino-3,5-dichlorobenzonitrile
TL;DR: 4-Amino-3,5-dichlorobenzonitrile (CAS 56461-98-4) is a chemical compound with molecular formula C7H4Cl2N2 and molecular weight 185.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3,5-dichlorobenzonitrile
Also Known As: 4-Amino-3,5-dichlorobenzonitrile, Benzonitrile, 4-amino-3,5-dichloro-, 2,6-Dichloro-4-cyanoaniline, 4-Cyano-2,6-dichloroaniline, 4-Amino-3,5-dichloro-benzonitrile
| Molecular Formula | C7H4Cl2N2 |
|---|---|
| Molecular Weight | 185.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.97516 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 56461-98-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N)Cl)C#N |
| InChIKey | COFNCCWGWXFACE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3,5-dichlorobenzonitrile (CAS 56461-98-4), with molecular formula C7H4Cl2N2 and molecular weight 185.98 g/mol. IUPAC: 4-amino-3,5-dichlorobenzonitrile.
Chemical Property Profile of 4-Amino-3,5-dichlorobenzonitrile
Property Insights of 4-Amino-3,5-dichlorobenzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-dichlorobenzonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Amino-3,5-dichlorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3,5-dichlorobenzonitrile 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 4-Amino-3,5-dichlorobenzonitrile?
The CAS number of 4-Amino-3,5-dichlorobenzonitrile is 56461-98-4.
What is the molecular formula of 4-Amino-3,5-dichlorobenzonitrile?
The molecular formula of 4-Amino-3,5-dichlorobenzonitrile is C7H4Cl2N2.
What is the molecular weight of 4-Amino-3,5-dichlorobenzonitrile?
The molecular weight of 4-Amino-3,5-dichlorobenzonitrile is 185.98 g/mol.
Where can I buy 4-Amino-3,5-dichlorobenzonitrile?
You can request a quote for 4-Amino-3,5-dichlorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5-dichlorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dichlorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.