4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
TL;DR: 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CAS 439147-12-3) is a chemical compound with molecular formula C16H22ClN5 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Also Known As: 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine, n-butyl-6-chloro-n'-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine, N'-butyl-6-chloro-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine, 6-(Butylimino)-4-chloro-N-(2-phenylpropan-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine
| Molecular Formula | C16H22ClN5 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.15637 |
| Heavy Atoms | 22 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 439147-12-3 |
|---|---|
| SMILES | CCCCNC1=NC(=NC(=N1)Cl)NC(C)(C)C2=CC=CC=C2 |
| InChIKey | FFRLDOKUUXKTIW-UHFFFAOYSA-N |
Product Overview
4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine (CAS 439147-12-3), with molecular formula C16H22ClN5 and molecular weight 319.16 g/mol. IUPAC: 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Property Insights of 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
The XLogP value of 4.9 indicates that 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-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 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine. Following Lipinski's Rule of Five, 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-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 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The CAS number of 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine is 439147-12-3.
What is the molecular formula of 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The molecular formula of 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine is C16H22ClN5.
What is the molecular weight of 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
The molecular weight of 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine is 319.16 g/mol.
Where can I buy 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
You can request a quote for 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-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 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.