IFLab1_002057
TL;DR: IFLab1_002057 (CAS 391919-14-5) is a chemical compound with molecular formula C19H19FN4O2S and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide
Also Known As: IFLab1_002057, F0507-2334, N-((5-(ethylthio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-3-methoxybenzamide, N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide, N-{[5-(ethylsulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
| Molecular Formula | C19H19FN4O2S |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 3.457 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.12128 |
| Heavy Atoms | 27 |
| Complexity | 927.714 |
Chemical Identifiers
| CAS Number | 391919-14-5 |
|---|---|
| SMILES | CCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC(=CC=C3)OC |
Product Overview
IFLab1_002057 (CAS 391919-14-5), with molecular formula C19H19FN4O2S and molecular weight 386.12 g/mol. IUPAC: N-[[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide.
Chemical Property Profile of IFLab1_002057
Property Insights of IFLab1_002057
The XLogP value of 3.457 indicates that IFLab1_002057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002057. Following Lipinski's Rule of Five, IFLab1_002057 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 IFLab1_002057?
The CAS number of IFLab1_002057 is 391919-14-5.
What is the molecular formula of IFLab1_002057?
The molecular formula of IFLab1_002057 is C19H19FN4O2S.
What is the molecular weight of IFLab1_002057?
The molecular weight of IFLab1_002057 is 386.12 g/mol.
Where can I buy IFLab1_002057?
You can request a quote for IFLab1_002057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002057?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.