1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro-
TL;DR: 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro- (CAS 67205-52-1) is a chemical compound with molecular formula C15H16ClN5 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4,6-bis(propan-2-ylamino)benzene-1,3,5-tricarbonitrile
Also Known As: 2-Chloro-4,6-di(isopropylamino)trimesonitrile, 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro-, 4,6-Bis -2-chlorobenzene-1,3,5-tricarbonitrile, 2-Chloro-4,6-di(isopropylamino)-1,3,5-benzenetricarbonitrile, 2-chloro-4,6-bis[(propan-2-yl)amino]benzene-1,3,5-tricarbonitrile
| Molecular Formula | C15H16ClN5 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 3.59564 |
| Topological Polar Surface Area | 95.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.10944 |
| Heavy Atoms | 21 |
| Complexity | 622.26044 |
Chemical Identifiers
| CAS Number | 67205-52-1 |
|---|---|
| SMILES | CC(C)NC1=C(C(=C(C(=C1C#N)Cl)C#N)NC(C)C)C#N |
Product Overview
1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro- (CAS 67205-52-1), with molecular formula C15H16ClN5 and molecular weight 301.11 g/mol. IUPAC: 2-chloro-4,6-bis(propan-2-ylamino)benzene-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro-
Property Insights of 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro-
The XLogP value of 3.59564 indicates that 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro-. Following Lipinski's Rule of Five, 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-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(isopropylamino)-2-chloro-?
The CAS number of 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro- is 67205-52-1.
What is the molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro-?
The molecular formula of 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro- is C15H16ClN5.
What is the molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro-?
The molecular weight of 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro- is 301.11 g/mol.
Where can I buy 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro-?
You can request a quote for 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-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(isopropylamino)-2-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Benzenetricarbonitrile, 4,6-bis(isopropylamino)-2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.