BAS 05646018
TL;DR: BAS 05646018 (CAS 626207-95-2) is a chemical compound with molecular formula C16H15FN4O2S and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: BAS 05646018, 2-[[4-(4-Fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide, 2-[4-(4-Fluoro-phenyl)-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-furan-2-ylmethyl-acetamide, 2-((4-(4-Fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-furanylmethyl)acetamide, 2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C16H15FN4O2S |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 2.71632 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.08997 |
| Heavy Atoms | 24 |
| Complexity | 815.2323 |
Chemical Identifiers
| CAS Number | 626207-95-2 |
|---|---|
| SMILES | CC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)NCC3=CC=CO3 |
Product Overview
BAS 05646018 (CAS 626207-95-2), with molecular formula C16H15FN4O2S and molecular weight 346.09 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of BAS 05646018
Property Insights of BAS 05646018
The XLogP value of 2.71632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05646018. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05646018. Following Lipinski's Rule of Five, BAS 05646018 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 05646018?
The CAS number of BAS 05646018 is 626207-95-2.
What is the molecular formula of BAS 05646018?
The molecular formula of BAS 05646018 is C16H15FN4O2S.
What is the molecular weight of BAS 05646018?
The molecular weight of BAS 05646018 is 346.09 g/mol.
Where can I buy BAS 05646018?
You can request a quote for BAS 05646018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05646018?
Yes, KEHONG BIO provides custom synthesis services for BAS 05646018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.