1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-
TL;DR: 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- (CAS 40496-46-6) is a chemical compound with molecular formula C17H10Cl2N4O2 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-6-(3,4-dimethoxyanilino)benzene-1,3,5-tricarbonitrile
Also Known As: 4,6-Dichloro-2-(3,4-dimethoxyanilino)trimesonitrile, 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-, 3,6-diethyl-1,4-dimethyl-piperazine-2,5-dione, 4,6-Dichloro-2-(3,4-dimethoxyanilino)-1,3,5-benzenetricarbonitrile, 2,4-dichloro-6-[(3,4-dimethoxyphenyl)amino]benzene-1,3,5-tricarbonitrile
| Molecular Formula | C17H10Cl2N4O2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.01807 |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 40496-46-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N)OC |
| InChIKey | JIFDJCNWIJUBKY-UHFFFAOYSA-N |
Product Overview
1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- (CAS 40496-46-6), with molecular formula C17H10Cl2N4O2 and molecular weight 372.02 g/mol. IUPAC: 2,4-dichloro-6-(3,4-dimethoxyanilino)benzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-
Property Insights of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-
The XLogP value of 4.4 indicates that 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-. Following Lipinski's Rule of Five, 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- has 1 hydrogen bond donor(s) and 6 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, 4,6-dichloro-2-(3,4-dimethoxyanilino)-?
The CAS number of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- is 40496-46-6.
What is the molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-?
The molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- is C17H10Cl2N4O2.
What is the molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-?
The molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- is 372.02 g/mol.
Where can I buy 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)-?
You can request a quote for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- 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, 4,6-dichloro-2-(3,4-dimethoxyanilino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(3,4-dimethoxyanilino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.