1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-
TL;DR: 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro- (CAS 67205-51-0) is a chemical compound with molecular formula C13H12ClN5 and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4,6-bis(ethylamino)benzene-1,3,5-tricarbonitrile
Also Known As: 2-Chloro-4,6-di(ethylamino)trimesonitrile, 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-, 2-chloro-4,6-bis(ethylamino)benzene-1,3,5-tricarbonitrile, 2-Chloro-4,6-di(ethylamino)-1,3,5-benzenetricarbonitrile, 4,6-Bis(ethylamino)-2-chlorobenzene-1,3,5-tricarbonitrile
| Molecular Formula | C13H12ClN5 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 2.81864 |
| Topological Polar Surface Area | 95.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.07812 |
| Heavy Atoms | 19 |
| Complexity | 570.87683 |
Chemical Identifiers
| CAS Number | 67205-51-0 |
|---|---|
| SMILES | CCNC1=C(C(=C(C(=C1C#N)Cl)C#N)NCC)C#N |
Product Overview
1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro- (CAS 67205-51-0), with molecular formula C13H12ClN5 and molecular weight 273.08 g/mol. IUPAC: 2-chloro-4,6-bis(ethylamino)benzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-
Property Insights of 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-
The XLogP value of 2.81864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-. The TPSA of 95.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-. Following Lipinski's Rule of Five, 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro- 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, 4,6-bis(ethylamino)-2-chloro-?
The CAS number of 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro- is 67205-51-0.
What is the molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-?
The molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro- is C13H12ClN5.
What is the molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-?
The molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro- is 273.08 g/mol.
Where can I buy 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro-?
You can request a quote for 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro- 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-bis(ethylamino)-2-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Benzenetricarbonitrile, 4,6-bis(ethylamino)-2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.