N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline
TL;DR: N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline (CAS 27421-72-3) is a chemical compound with molecular formula C14H17Cl2N5 and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline
Also Known As: N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline, {4-[bis-(2-chloro-ethyl)-amino]-2-methyl-benzylidene}-[1,2,4, N,N-Bis(2-chloroethyl)-3-methyl-4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}aniline
| Molecular Formula | C14H17Cl2N5 |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.0861 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 27421-72-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NN2C=NN=C2 |
| InChIKey | GUCHGDJJRWAHOL-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline (CAS 27421-72-3), with molecular formula C14H17Cl2N5 and molecular weight 325.09 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline.
Chemical Property Profile of N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline
Property Insights of N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline. With a topological polar surface area (TPSA) of 46.3 Ų, N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline has 0 hydrogen bond donor(s) and 4 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 N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline?
The CAS number of N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline is 27421-72-3.
What is the molecular formula of N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline?
The molecular formula of N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline is C14H17Cl2N5.
What is the molecular weight of N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline?
The molecular weight of N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline is 325.09 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline?
You can request a quote for N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-3-methyl-4-(1,2,4-triazol-4-yliminomethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.