RefChem:449380
TL;DR: RefChem:449380 (CAS 539809-45-5) is a chemical compound with molecular formula C24H21Cl2N5OS and molecular weight 497.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Also Known As: N-(3-Chloro-2-methylphenyl)-2-((5-(((3-chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-({5-[(3-CHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE, 2-((5-((3-CHLOROANILINO)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE, 2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide, 644-699-6
| Molecular Formula | C24H21Cl2N5OS |
|---|---|
| Molecular Weight | 497.08 g/mol |
| LogP | 6.22542 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.08438 |
| Heavy Atoms | 33 |
| Complexity | 1262.9615 |
Chemical Identifiers
| CAS Number | 539809-45-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl |
Product Overview
RefChem:449380 (CAS 539809-45-5), with molecular formula C24H21Cl2N5OS and molecular weight 497.08 g/mol. IUPAC: 2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of RefChem:449380
Property Insights of RefChem:449380
The XLogP value of 6.22542 indicates that RefChem:449380 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449380. Following Lipinski's Rule of Five, RefChem:449380 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:449380?
The CAS number of RefChem:449380 is 539809-45-5.
What is the molecular formula of RefChem:449380?
The molecular formula of RefChem:449380 is C24H21Cl2N5OS.
What is the molecular weight of RefChem:449380?
The molecular weight of RefChem:449380 is 497.08 g/mol.
Where can I buy RefChem:449380?
You can request a quote for RefChem:449380 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449380?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.