(E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine
TL;DR: (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine (CAS 136493-54-4) is a chemical compound with molecular formula C13H16Cl2N6 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1H-1,2,4-triazol-5-amine
Also Known As: BAS 00535220, (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine, {4-[(1E)-2-(5-amino(1H-1,2,4-triazol-3-yl))-2-azavinyl]phenyl}bis(2-chloroethy l)amine
| Molecular Formula | C13H16Cl2N6 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.4215 |
| Topological Polar Surface Area | 83.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.08136 |
| Heavy Atoms | 21 |
| Complexity | 574.60236 |
Chemical Identifiers
| CAS Number | 136493-54-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/C2=NNC(=N2)N)N(CCCl)CCCl |
Product Overview
(E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine (CAS 136493-54-4), with molecular formula C13H16Cl2N6 and molecular weight 326.08 g/mol. IUPAC: 3-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine
Property Insights of (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine
The XLogP value of 2.4215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine. The TPSA of 83.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine. Following Lipinski's Rule of Five, (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine 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 (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine?
The CAS number of (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine is 136493-54-4.
What is the molecular formula of (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine?
The molecular formula of (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine is C13H16Cl2N6.
What is the molecular weight of (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine?
The molecular weight of (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine is 326.08 g/mol.
Where can I buy (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine?
You can request a quote for (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N3-(4-(bis(2-chloroethyl)amino)benzylidene)-4H-1,2,4-triazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.