A4049/0172689
TL;DR: A4049/0172689 (CAS 898128-91-1) is a chemical compound with molecular formula C17H16N6O2S and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A4049/0172689, N-(4-acetylphenyl)-2-((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetylphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-acetylphenyl)-2-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N~1~-(4-ACETYLPHENYL)-2-{[4-METHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C17H16N6O2S |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 2.2055 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.10553 |
| Heavy Atoms | 26 |
| Complexity | 924.186 |
Chemical Identifiers
| CAS Number | 898128-91-1 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=NC=CN=C3 |
Product Overview
A4049/0172689 (CAS 898128-91-1), with molecular formula C17H16N6O2S and molecular weight 368.11 g/mol. IUPAC: N-(4-acetylphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A4049/0172689
Property Insights of A4049/0172689
The XLogP value of 2.2055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4049/0172689. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for A4049/0172689. Following Lipinski's Rule of Five, A4049/0172689 has 1 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 A4049/0172689?
The CAS number of A4049/0172689 is 898128-91-1.
What is the molecular formula of A4049/0172689?
The molecular formula of A4049/0172689 is C17H16N6O2S.
What is the molecular weight of A4049/0172689?
The molecular weight of A4049/0172689 is 368.11 g/mol.
Where can I buy A4049/0172689?
You can request a quote for A4049/0172689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4049/0172689?
Yes, KEHONG BIO provides custom synthesis services for A4049/0172689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.