BAS 01890498
TL;DR: BAS 01890498 (CAS 352684-82-3) is a chemical compound with molecular formula C25H24ClN5OS and molecular weight 477.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Also Known As: BAS 01890498, 2-((5-(((4-Chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide, 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide, 2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide, 2-({5-[(4-CHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N~1~-(2,4-DIMETHYLPHENYL)ACETAMIDE
| Molecular Formula | C25H24ClN5OS |
|---|---|
| Molecular Weight | 477.14 g/mol |
| LogP | 5.88044 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.139 |
| Heavy Atoms | 33 |
| Complexity | 1241.6543 |
Chemical Identifiers
| CAS Number | 352684-82-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl)C |
Product Overview
BAS 01890498 (CAS 352684-82-3), with molecular formula C25H24ClN5OS and molecular weight 477.14 g/mol. IUPAC: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
Chemical Property Profile of BAS 01890498
Property Insights of BAS 01890498
The XLogP value of 5.88044 indicates that BAS 01890498 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 BAS 01890498. Following Lipinski's Rule of Five, BAS 01890498 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 BAS 01890498?
The CAS number of BAS 01890498 is 352684-82-3.
What is the molecular formula of BAS 01890498?
The molecular formula of BAS 01890498 is C25H24ClN5OS.
What is the molecular weight of BAS 01890498?
The molecular weight of BAS 01890498 is 477.14 g/mol.
Where can I buy BAS 01890498?
You can request a quote for BAS 01890498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01890498?
Yes, KEHONG BIO provides custom synthesis services for BAS 01890498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.