F0514-0663
TL;DR: F0514-0663 (CAS 393583-00-1) is a chemical compound with molecular formula C34H31N7O4S2 and molecular weight 665.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
Also Known As: F0514-0663, N-{[4-(2,3-dimethylphenyl)-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide, N-((4-(2,3-dimethylphenyl)-5-((2-oxo-2-(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide, N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
| Molecular Formula | C34H31N7O4S2 |
|---|---|
| Molecular Weight | 665.19 g/mol |
| LogP | 6.56226 |
| Topological Polar Surface Area | 135.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 665.18787 |
| Heavy Atoms | 47 |
| Complexity | 1970.6176 |
Chemical Identifiers
| CAS Number | 393583-00-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=CC(=C4C)C)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CS6 |
Product Overview
F0514-0663 (CAS 393583-00-1), with molecular formula C34H31N7O4S2 and molecular weight 665.19 g/mol. IUPAC: N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-methylphenyl)-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 F0514-0663
Property Insights of F0514-0663
The XLogP value of 6.56226 indicates that F0514-0663 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.62 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-0663. Following Lipinski's Rule of Five, F0514-0663 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 F0514-0663?
The CAS number of F0514-0663 is 393583-00-1.
What is the molecular formula of F0514-0663?
The molecular formula of F0514-0663 is C34H31N7O4S2.
What is the molecular weight of F0514-0663?
The molecular weight of F0514-0663 is 665.19 g/mol.
Where can I buy F0514-0663?
You can request a quote for F0514-0663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-0663?
Yes, KEHONG BIO provides custom synthesis services for F0514-0663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.