NCIStruc1_001728
TL;DR: NCIStruc1_001728 (CAS 500889-59-8) is a chemical compound with molecular formula C17H19ClN6 and molecular weight 342.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: NCIStruc1_001728, NCIStruc2_001422, NCI60_002025, 2-(4-chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine, 1-[2-(4-CHLOROPHENYL)-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]-4-METHYLPIPERAZINE
| Molecular Formula | C17H19ClN6 |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.136 |
| Heavy Atoms | 24 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 500889-59-8 |
|---|---|
| SMILES | CC1=NC2=NC(=NN2C(=C1)N3CCN(CC3)C)C4=CC=C(C=C4)Cl |
| InChIKey | NBVBJTYUHRBBTF-UHFFFAOYSA-N |
Product Overview
NCIStruc1_001728 (CAS 500889-59-8), with molecular formula C17H19ClN6 and molecular weight 342.14 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of NCIStruc1_001728
Property Insights of NCIStruc1_001728
The XLogP value of 3.1 indicates that NCIStruc1_001728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, NCIStruc1_001728 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIStruc1_001728 has 0 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 NCIStruc1_001728?
The CAS number of NCIStruc1_001728 is 500889-59-8.
What is the molecular formula of NCIStruc1_001728?
The molecular formula of NCIStruc1_001728 is C17H19ClN6.
What is the molecular weight of NCIStruc1_001728?
The molecular weight of NCIStruc1_001728 is 342.14 g/mol.
Where can I buy NCIStruc1_001728?
You can request a quote for NCIStruc1_001728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_001728?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_001728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.