BAS 01556303
TL;DR: BAS 01556303 (CAS 1072443-89-0) is a chemical compound with molecular formula C27H29N5OS and molecular weight 471.2093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-ethyl-6-methylphenyl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 01556303, N-(2-Ethyl-6-methylphenyl)-2-((4-phenyl-5-((p-tolylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-ethyl-6-methylphenyl)-2-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-Ethyl-6-methyl-phenyl)-2-[4-phenyl-5-(p-tolylamino-methyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide, N-(2-ethyl-6-methylphenyl)-2-{[4-phenyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Technical Specifications
| Molecular Formula | C27H29N5OS |
| Molecular Weight | 471.2093 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.2093 Da |
| Heavy Atoms | 34 |
| Complexity | 622.0 |
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)C)C |
| InChIKey | HNFZTAOOCJTHCZ-UHFFFAOYSA-N |
Chemical Property Profile of BAS 01556303
Property Insights of BAS 01556303
The XLogP value of 5.9 indicates that BAS 01556303 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01556303. Following Lipinski's Rule of Five, BAS 01556303 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 01556303?
The CAS number of BAS 01556303 is 1072443-89-0.
What is the molecular formula of BAS 01556303?
The molecular formula of BAS 01556303 is C27H29N5OS.
What is the molecular weight of BAS 01556303?
The molecular weight of BAS 01556303 is 471.2093 g/mol.
Where can I buy BAS 01556303?
You can request a quote for BAS 01556303 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 01556303?
Yes, CoreyChem provides custom synthesis services for BAS 01556303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.