ChemDiv3_010276
TL;DR: ChemDiv3_010276 (CAS 847394-20-1) is a chemical compound with molecular formula C19H18FN7OS2 and molecular weight 443.09982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: ChemDiv3_010276, BRD-K21962642-001-01-3, F0659-0515, 2-((4-(4-fluorophenyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Technical Specifications
| Molecular Formula | C19H18FN7OS2 |
| Molecular Weight | 443.09982 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.09982 Da |
| Heavy Atoms | 30 |
| Complexity | 583.0 |
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC=CN4C |
| InChIKey | UQUHXHXCWLNYAZ-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv3_010276
Property Insights of ChemDiv3_010276
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010276. The TPSA of 144.0 Ų indicates high polarity, suggesting ChemDiv3_010276 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv3_010276 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ChemDiv3_010276?
The CAS number of ChemDiv3_010276 is 847394-20-1.
What is the molecular formula of ChemDiv3_010276?
The molecular formula of ChemDiv3_010276 is C19H18FN7OS2.
What is the molecular weight of ChemDiv3_010276?
The molecular weight of ChemDiv3_010276 is 443.09982 g/mol.
Where can I buy ChemDiv3_010276?
You can request a quote for ChemDiv3_010276 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv3_010276?
Yes, CoreyChem provides custom synthesis services for ChemDiv3_010276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.