1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-
TL;DR: 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- (CAS 40496-49-9) is a chemical compound with molecular formula C15H5Cl2FN4 and molecular weight 329.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-6-(3-fluoroanilino)benzene-1,3,5-tricarbonitrile
Also Known As: 4,6-Dichloro-2-(m-fluoroanilino)trimesonitrile, 2,4-dichloro-6-[(3-fluorophenyl)amino]benzene-1,3,5-tricarbonitrile, 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-, 4,6-Dichloro-2-(m-fluoroanilino)-1,3,5-benzenetricarbonitrile, 2,4-dichloro-6-(3-fluoroanilino)benzene-1,3,5-tricarbonitrile
| Molecular Formula | C15H5Cl2FN4 |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.98752 |
| Heavy Atoms | 22 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 40496-49-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N |
| InChIKey | ASURHLVWMBKSSP-UHFFFAOYSA-N |
Product Overview
1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- (CAS 40496-49-9), with molecular formula C15H5Cl2FN4 and molecular weight 329.99 g/mol. IUPAC: 2,4-dichloro-6-(3-fluoroanilino)benzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-
Property Insights of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-
The XLogP value of 4.5 indicates that 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-. Following Lipinski's Rule of Five, 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- has 1 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, 4,6-dichloro-2-(m-fluoroanilino)-?
The CAS number of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- is 40496-49-9.
What is the molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-?
The molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- is C15H5Cl2FN4.
What is the molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-?
The molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- is 329.99 g/mol.
Where can I buy 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-?
You can request a quote for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- 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-(m-fluoroanilino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.