RefChem:449513
TL;DR: RefChem:449513 (CAS 332948-00-2) is a chemical compound with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
Also Known As: BAS 02053455, 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide, 2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide, 2-((5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2,4-dimethoxyphenyl)acetamide, 647-133-6
| Molecular Formula | C25H23ClN4O3S |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 5.64412 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.11795 |
| Heavy Atoms | 34 |
| Complexity | 1290.771 |
Chemical Identifiers
| CAS Number | 332948-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)OC)OC)C4=CC=C(C=C4)Cl |
Product Overview
RefChem:449513 (CAS 332948-00-2), with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of RefChem:449513
Property Insights of RefChem:449513
The XLogP value of 5.64412 indicates that RefChem:449513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449513. Following Lipinski's Rule of Five, RefChem:449513 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449513?
The CAS number of RefChem:449513 is 332948-00-2.
What is the molecular formula of RefChem:449513?
The molecular formula of RefChem:449513 is C25H23ClN4O3S.
What is the molecular weight of RefChem:449513?
The molecular weight of RefChem:449513 is 494.12 g/mol.
Where can I buy RefChem:449513?
You can request a quote for RefChem:449513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449513?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.