RefChem:217403
TL;DR: RefChem:217403 (CAS 7181-25-1) is a chemical compound with molecular formula C19H28ClN7 and molecular weight 389.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-butyl-6-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
Also Known As: 1,3,5-Triazine-2,4-diamine, N-butyl-6-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-, N-Butyl-6-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-1,3,5-triazine-2,4-diamine, 2-N-butyl-6-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine, N~2~-Butyl-6-{2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl}-1,3,5-triazine-2,4-diamine, BRN 0630651
| Molecular Formula | C19H28ClN7 |
|---|---|
| Molecular Weight | 389.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.20947 |
| Heavy Atoms | 27 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 7181-25-1 |
|---|---|
| SMILES | CCCCNC1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=C(C=C3)Cl |
| InChIKey | IBMXUYTUEWLKFR-UHFFFAOYSA-N |
Product Overview
RefChem:217403 (CAS 7181-25-1), with molecular formula C19H28ClN7 and molecular weight 389.21 g/mol. IUPAC: 2-N-butyl-6-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of RefChem:217403
Property Insights of RefChem:217403
The XLogP value of 3.7 indicates that RefChem:217403 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:217403. Following Lipinski's Rule of Five, RefChem:217403 has 2 hydrogen bond donor(s) and 7 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 RefChem:217403?
The CAS number of RefChem:217403 is 7181-25-1.
What is the molecular formula of RefChem:217403?
The molecular formula of RefChem:217403 is C19H28ClN7.
What is the molecular weight of RefChem:217403?
The molecular weight of RefChem:217403 is 389.21 g/mol.
Where can I buy RefChem:217403?
You can request a quote for RefChem:217403 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217403?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.