A4041/0172303
TL;DR: A4041/0172303 (CAS 898128-30-8) is a chemical compound with molecular formula C20H20N8O2S and molecular weight 436.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A4041/0172303, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H20N8O2S |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | 1.80072 |
| Topological Polar Surface Area | 112.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.143 |
| Heavy Atoms | 31 |
| Complexity | 1278.0096 |
Chemical Identifiers
| CAS Number | 898128-30-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C)C4=NC=CN=C4 |
Product Overview
A4041/0172303 (CAS 898128-30-8), with molecular formula C20H20N8O2S and molecular weight 436.14 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A4041/0172303
Property Insights of A4041/0172303
The XLogP value of 1.80072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4041/0172303. The TPSA of 112.52 Ų falls within the moderate polarity range, balancing permeability and solubility for A4041/0172303. Following Lipinski's Rule of Five, A4041/0172303 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 A4041/0172303?
The CAS number of A4041/0172303 is 898128-30-8.
What is the molecular formula of A4041/0172303?
The molecular formula of A4041/0172303 is C20H20N8O2S.
What is the molecular weight of A4041/0172303?
The molecular weight of A4041/0172303 is 436.14 g/mol.
Where can I buy A4041/0172303?
You can request a quote for A4041/0172303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4041/0172303?
Yes, KEHONG BIO provides custom synthesis services for A4041/0172303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.