RefChem:823968
TL;DR: RefChem:823968 (CAS 577981-98-7) is a chemical compound with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethoxyphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2,4-dimethoxyphenyl)-2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,4-Dimethoxyphenyl)-2-((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2,4-DIMETHOXYPHENYL)-2-{[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(2,4-dimethoxyphenyl)-2-(4-ethyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))aceta mide, N-(2,4-dimethoxyphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C19H21N5O3S |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 3.108 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.1365 |
| Heavy Atoms | 28 |
| Complexity | 945.9971 |
Chemical Identifiers
| CAS Number | 577981-98-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)OC)C3=CC=CC=N3 |
Product Overview
RefChem:823968 (CAS 577981-98-7), with molecular formula C19H21N5O3S and molecular weight 399.14 g/mol. IUPAC: N-(2,4-dimethoxyphenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:823968
Property Insights of RefChem:823968
The XLogP value of 3.108 indicates that RefChem:823968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:823968. Following Lipinski's Rule of Five, RefChem:823968 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 RefChem:823968?
The CAS number of RefChem:823968 is 577981-98-7.
What is the molecular formula of RefChem:823968?
The molecular formula of RefChem:823968 is C19H21N5O3S.
What is the molecular weight of RefChem:823968?
The molecular weight of RefChem:823968 is 399.14 g/mol.
Where can I buy RefChem:823968?
You can request a quote for RefChem:823968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:823968?
Yes, KEHONG BIO provides custom synthesis services for RefChem:823968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.