F0514-0495
TL;DR: F0514-0495 (CAS 393574-11-3) is a chemical compound with molecular formula C33H29FN6O3S2 and molecular weight 640.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-[[4-(2-methoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0514-0495, 3-fluoro-N-((4-(2-methoxyphenyl)-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)benzamide, 3-fluoro-N-[[4-(2-methoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 3-FLUORO-N-{[4-(2-METHOXYPHENYL)-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}BENZAMIDE
| Molecular Formula | C33H29FN6O3S2 |
|---|---|
| Molecular Weight | 640.17 g/mol |
| LogP | 6.18492 |
| Topological Polar Surface Area | 101.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 640.17267 |
| Heavy Atoms | 45 |
| Complexity | 1856.5199 |
Chemical Identifiers
| CAS Number | 393574-11-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=CC=C4OC)CNC(=O)C5=CC(=CC=C5)F)C6=CC=CS6 |
Product Overview
F0514-0495 (CAS 393574-11-3), with molecular formula C33H29FN6O3S2 and molecular weight 640.17 g/mol. IUPAC: 3-fluoro-N-[[4-(2-methoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0514-0495
Property Insights of F0514-0495
The XLogP value of 6.18492 indicates that F0514-0495 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.71 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-0495. Following Lipinski's Rule of Five, F0514-0495 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-0495?
The CAS number of F0514-0495 is 393574-11-3.
What is the molecular formula of F0514-0495?
The molecular formula of F0514-0495 is C33H29FN6O3S2.
What is the molecular weight of F0514-0495?
The molecular weight of F0514-0495 is 640.17 g/mol.
Where can I buy F0514-0495?
You can request a quote for F0514-0495 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-0495?
Yes, KEHONG BIO provides custom synthesis services for F0514-0495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.