RefChem:826350
TL;DR: RefChem:826350 (CAS 585553-73-7) is a chemical compound with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3-chloro-4-methoxyphenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-Chloro-4-methoxyphenyl)-2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-4-methoxyphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(3-CHLORO-4-METHOXYPHENYL)-2-{[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(3-chloro-4-methoxyphenyl)-2-(4-ethyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide
| Molecular Formula | C18H18ClN5O2S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.7528 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.08698 |
| Heavy Atoms | 27 |
| Complexity | 932.75635 |
Chemical Identifiers
| CAS Number | 585553-73-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)Cl)C3=CC=NC=C3 |
Product Overview
RefChem:826350 (CAS 585553-73-7), with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:826350
Property Insights of RefChem:826350
The XLogP value of 3.7528 indicates that RefChem:826350 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:826350. Following Lipinski's Rule of Five, RefChem:826350 has 1 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 RefChem:826350?
The CAS number of RefChem:826350 is 585553-73-7.
What is the molecular formula of RefChem:826350?
The molecular formula of RefChem:826350 is C18H18ClN5O2S.
What is the molecular weight of RefChem:826350?
The molecular weight of RefChem:826350 is 403.09 g/mol.
Where can I buy RefChem:826350?
You can request a quote for RefChem:826350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:826350?
Yes, KEHONG BIO provides custom synthesis services for RefChem:826350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.