A4041/0172307
TL;DR: A4041/0172307 (CAS 898128-40-0) is a chemical compound with molecular formula C17H18N6O3S and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A4041/0172307, N-(2,5-dimethoxyphenyl)-2-((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2,5-dimethoxyphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N~1~-(2,5-DIMETHOXYPHENYL)-2-{[4-METHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
| Molecular Formula | C17H18N6O3S |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 2.0201 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.11612 |
| Heavy Atoms | 27 |
| Complexity | 931.6731 |
Chemical Identifiers
| CAS Number | 898128-40-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)OC)OC)C3=NC=CN=C3 |
Product Overview
A4041/0172307 (CAS 898128-40-0), with molecular formula C17H18N6O3S and molecular weight 386.12 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A4041/0172307
Property Insights of A4041/0172307
The XLogP value of 2.0201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4041/0172307. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A4041/0172307. Following Lipinski's Rule of Five, A4041/0172307 has 1 hydrogen bond donor(s) and 8 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 A4041/0172307?
The CAS number of A4041/0172307 is 898128-40-0.
What is the molecular formula of A4041/0172307?
The molecular formula of A4041/0172307 is C17H18N6O3S.
What is the molecular weight of A4041/0172307?
The molecular weight of A4041/0172307 is 386.12 g/mol.
Where can I buy A4041/0172307?
You can request a quote for A4041/0172307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4041/0172307?
Yes, KEHONG BIO provides custom synthesis services for A4041/0172307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.