![N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine structure](/static/products/4057/40572-64-3.webp)
N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine
TL;DR: N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine (CAS 40572-64-3) is a chemical compound with molecular formula C12H14ClN5 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Also Known As: BAS 01056857, N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine, 3,4-DICHLORO-4'-FLUOROBENZOPHENONE, n-benzyl-6-chloro-n'-ethyl-1,3,5-triazine-2,4-diamine, N2-Benzyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamine
| Molecular Formula | C12H14ClN5 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.09378 |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 40572-64-3 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)Cl)NCC2=CC=CC=C2 |
| InChIKey | BZJVYPJKCGVLQV-UHFFFAOYSA-N |
Product Overview
N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine (CAS 40572-64-3), with molecular formula C12H14ClN5 and molecular weight 263.09 g/mol. IUPAC: 2-N-benzyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine
Property Insights of N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine
The XLogP value of 3.4 indicates that N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine. Following Lipinski's Rule of Five, N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-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 N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine?
The CAS number of N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine is 40572-64-3.
What is the molecular formula of N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine?
The molecular formula of N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine is C12H14ClN5.
What is the molecular weight of N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine?
The molecular weight of N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine is 263.09 g/mol.
Where can I buy N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine?
You can request a quote for N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.