RefChem:827352
TL;DR: RefChem:827352 (CAS 577697-80-4) is a chemical compound with molecular formula C19H20ClN5O2S and molecular weight 417.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-Chloro-2-methoxy-5-methylphenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 649-212-0, N-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-((4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE
| Molecular Formula | C19H20ClN5O2S |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 4.06122 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.10263 |
| Heavy Atoms | 28 |
| Complexity | 977.9554 |
Chemical Identifiers
| CAS Number | 577697-80-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)C3=CN=CC=C3 |
Product Overview
RefChem:827352 (CAS 577697-80-4), with molecular formula C19H20ClN5O2S and molecular weight 417.10 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:827352
Property Insights of RefChem:827352
The XLogP value of 4.06122 indicates that RefChem:827352 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:827352. Following Lipinski's Rule of Five, RefChem:827352 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:827352?
The CAS number of RefChem:827352 is 577697-80-4.
What is the molecular formula of RefChem:827352?
The molecular formula of RefChem:827352 is C19H20ClN5O2S.
What is the molecular weight of RefChem:827352?
The molecular weight of RefChem:827352 is 417.10 g/mol.
Where can I buy RefChem:827352?
You can request a quote for RefChem:827352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827352?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.