A4041/0172326
TL;DR: A4041/0172326 (CAS 1031389-09-9) is a chemical compound with molecular formula C17H16N8 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]pyrimidin-2-amine
Also Known As: A4041/0172326, 4,6-dimethyl-N-(3-(5-phenyl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine, 4,6-dimethyl-N-[3-(5-phenyl-1H-pyrazol-3-yl)-1H-1,2,4-triazol-5-yl]pyrimidin-2-amine, 4,6-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]pyrimidin-2-amine
| Molecular Formula | C17H16N8 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 3.01224 |
| Topological Polar Surface Area | 108.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.14978 |
| Heavy Atoms | 25 |
| Complexity | 982.18195 |
Chemical Identifiers
| CAS Number | 1031389-09-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC(=NN3)C4=CC=CC=C4)C |
Product Overview
A4041/0172326 (CAS 1031389-09-9), with molecular formula C17H16N8 and molecular weight 332.15 g/mol. IUPAC: 4,6-dimethyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]pyrimidin-2-amine.
Chemical Property Profile of A4041/0172326
Property Insights of A4041/0172326
The XLogP value of 3.01224 indicates that A4041/0172326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.06 Ų falls within the moderate polarity range, balancing permeability and solubility for A4041/0172326. Following Lipinski's Rule of Five, A4041/0172326 has 3 hydrogen bond donor(s) and 6 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 A4041/0172326?
The CAS number of A4041/0172326 is 1031389-09-9.
What is the molecular formula of A4041/0172326?
The molecular formula of A4041/0172326 is C17H16N8.
What is the molecular weight of A4041/0172326?
The molecular weight of A4041/0172326 is 332.15 g/mol.
Where can I buy A4041/0172326?
You can request a quote for A4041/0172326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4041/0172326?
Yes, KEHONG BIO provides custom synthesis services for A4041/0172326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.