F0514-0118
TL;DR: F0514-0118 (CAS 393573-44-9) is a chemical compound with molecular formula C37H36N6O5S and molecular weight 676.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0514-0118, N-((5-((2-(5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide, N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide, N-{[5-({2-[5-(2,3-DIMETHOXYPHENYL)-3-(4-METHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-OXOETHYL}SULFANYL)-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}BENZAMIDE
| Molecular Formula | C37H36N6O5S |
|---|---|
| Molecular Weight | 676.25 g/mol |
| LogP | 6.00152 |
| Topological Polar Surface Area | 120.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 676.24677 |
| Heavy Atoms | 49 |
| Complexity | 1979.3728 |
Chemical Identifiers
| CAS Number | 393573-44-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(C(=CC=C5)OC)OC)CNC(=O)C6=CC=CC=C6 |
Product Overview
F0514-0118 (CAS 393573-44-9), with molecular formula C37H36N6O5S and molecular weight 676.25 g/mol. IUPAC: N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0514-0118
Property Insights of F0514-0118
The XLogP value of 6.00152 indicates that F0514-0118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.17 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-0118. Following Lipinski's Rule of Five, F0514-0118 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-0118?
The CAS number of F0514-0118 is 393573-44-9.
What is the molecular formula of F0514-0118?
The molecular formula of F0514-0118 is C37H36N6O5S.
What is the molecular weight of F0514-0118?
The molecular weight of F0514-0118 is 676.25 g/mol.
Where can I buy F0514-0118?
You can request a quote for F0514-0118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-0118?
Yes, KEHONG BIO provides custom synthesis services for F0514-0118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.