1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-
TL;DR: 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- (CAS 40494-47-1) is a chemical compound with molecular formula C15H7Cl2N5 and molecular weight 327.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminoanilino)-4,6-dichlorobenzene-1,3,5-tricarbonitrile
Also Known As: 2-(p-Aminoanilino)-4-6-dichlorotrimesonitrile, 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-, 2-(4-aminoanilino)-4,6-dichlorobenzene-1,3,5-tricarbonitrile, 2-(p-Aminoanilino)-4,6-dichloro-1,3,5-benzenetricarbonitrile, 2-[(4-aminophenyl)amino]-4,6-dichlorobenzene-1,3,5-tricarbonitrile
| Molecular Formula | C15H7Cl2N5 |
|---|---|
| Molecular Weight | 327.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.00784 |
| Heavy Atoms | 22 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 40494-47-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N |
| InChIKey | FNCMMTVNCZUXKQ-UHFFFAOYSA-N |
Product Overview
1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- (CAS 40494-47-1), with molecular formula C15H7Cl2N5 and molecular weight 327.01 g/mol. IUPAC: 2-(4-aminoanilino)-4,6-dichlorobenzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-
Property Insights of 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-
The XLogP value of 3.7 indicates that 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-. Following Lipinski's Rule of Five, 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- has 2 hydrogen bond donor(s) and 5 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 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-?
The CAS number of 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- is 40494-47-1.
What is the molecular formula of 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-?
The molecular formula of 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- is C15H7Cl2N5.
What is the molecular weight of 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-?
The molecular weight of 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- is 327.01 g/mol.
Where can I buy 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-?
You can request a quote for 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Benzenetricarbonitrile, 2-(p-aminoanilino)-4,6-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.