BAS 01157678
TL;DR: BAS 01157678 (CAS 332128-48-0) is a chemical compound with molecular formula C18H16Cl3N5OS and molecular weight 455.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
Also Known As: BAS 01157678, 2-((3-((m-Tolylamino)methyl)-1H-1,2,4-triazol-5-yl)thio)-N-(2,4,6-trichlorophenyl)acetamide, 2-[[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide, 2-[5-(m-Tolylamino-methyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(2,4,6-trichloro-phenyl)-acetamide, 2-{[3-(3-toluidinomethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-N-(2,4,6-trichlorophenyl)acetamide
| Molecular Formula | C18H16Cl3N5OS |
|---|---|
| Molecular Weight | 455.01 g/mol |
| LogP | 5.41622 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.0141 |
| Heavy Atoms | 28 |
| Complexity | 971.8525 |
Chemical Identifiers
| CAS Number | 332128-48-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3Cl)Cl)Cl |
Product Overview
BAS 01157678 (CAS 332128-48-0), with molecular formula C18H16Cl3N5OS and molecular weight 455.01 g/mol. IUPAC: 2-[[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide.
Chemical Property Profile of BAS 01157678
Property Insights of BAS 01157678
The XLogP value of 5.41622 indicates that BAS 01157678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157678. Following Lipinski's Rule of Five, BAS 01157678 has 3 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 01157678?
The CAS number of BAS 01157678 is 332128-48-0.
What is the molecular formula of BAS 01157678?
The molecular formula of BAS 01157678 is C18H16Cl3N5OS.
What is the molecular weight of BAS 01157678?
The molecular weight of BAS 01157678 is 455.01 g/mol.
Where can I buy BAS 01157678?
You can request a quote for BAS 01157678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157678?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.