F0514-0702
TL;DR: F0514-0702 (CAS 393583-10-3) is a chemical compound with molecular formula C33H28FN7O5S2 and molecular weight 685.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
Also Known As: F0514-0702, N-((4-(4-ethoxyphenyl)-5-((2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide, N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide, N-{[4-(4-ETHOXYPHENYL)-5-({2-[5-(4-FLUOROPHENYL)-3-(THIOPHEN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-OXOETHYL}SULFANYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}-4-NITROBENZAMIDE
| Molecular Formula | C33H28FN7O5S2 |
|---|---|
| Molecular Weight | 685.16 g/mol |
| LogP | 6.1748 |
| Topological Polar Surface Area | 144.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 685.1577 |
| Heavy Atoms | 48 |
| Complexity | 1947.829 |
Chemical Identifiers
| CAS Number | 393583-10-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
F0514-0702 (CAS 393583-10-3), with molecular formula C33H28FN7O5S2 and molecular weight 685.16 g/mol. IUPAC: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide.
Chemical Property Profile of F0514-0702
Property Insights of F0514-0702
The XLogP value of 6.1748 indicates that F0514-0702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.85 Ų indicates high polarity, suggesting F0514-0702 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0514-0702 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-0702?
The CAS number of F0514-0702 is 393583-10-3.
What is the molecular formula of F0514-0702?
The molecular formula of F0514-0702 is C33H28FN7O5S2.
What is the molecular weight of F0514-0702?
The molecular weight of F0514-0702 is 685.16 g/mol.
Where can I buy F0514-0702?
You can request a quote for F0514-0702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-0702?
Yes, KEHONG BIO provides custom synthesis services for F0514-0702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.