F0514-1084
TL;DR: F0514-1084 (CAS 393583-91-0) is a chemical compound with molecular formula C35H30FN7O6S and molecular weight 695.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: F0514-1084, N-{[5-({2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide, N-((5-((2-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide, N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
| Molecular Formula | C35H30FN7O6S |
|---|---|
| Molecular Weight | 695.20 g/mol |
| LogP | 5.7318 |
| Topological Polar Surface Area | 154.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 695.1962 |
| Heavy Atoms | 50 |
| Complexity | 2036.4152 |
Chemical Identifiers
| CAS Number | 393583-91-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NN=C(N4C5=CC=C(C=C5)[N+](=O)[O-])CNC(=O)C6=CC=C(C=C6)OC |
Product Overview
F0514-1084 (CAS 393583-91-0), with molecular formula C35H30FN7O6S and molecular weight 695.20 g/mol. IUPAC: N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of F0514-1084
Property Insights of F0514-1084
The XLogP value of 5.7318 indicates that F0514-1084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.08 Ų indicates high polarity, suggesting F0514-1084 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0514-1084 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 F0514-1084?
The CAS number of F0514-1084 is 393583-91-0.
What is the molecular formula of F0514-1084?
The molecular formula of F0514-1084 is C35H30FN7O6S.
What is the molecular weight of F0514-1084?
The molecular weight of F0514-1084 is 695.20 g/mol.
Where can I buy F0514-1084?
You can request a quote for F0514-1084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-1084?
Yes, KEHONG BIO provides custom synthesis services for F0514-1084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.