F0514-4002
TL;DR: F0514-4002 (CAS 362505-83-7) is a chemical compound with molecular formula C33H29FN6O2S2 and molecular weight 624.18 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-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
Also Known As: F0514-4002, N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide, N-((5-((2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)-2-phenylacetamide, N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
| Molecular Formula | C33H29FN6O2S2 |
|---|---|
| Molecular Weight | 624.18 g/mol |
| LogP | 6.10522 |
| Topological Polar Surface Area | 92.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 624.17773 |
| Heavy Atoms | 44 |
| Complexity | 1788.8087 |
Chemical Identifiers
| CAS Number | 362505-83-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)CC6=CC=CC=C6 |
Product Overview
F0514-4002 (CAS 362505-83-7), with molecular formula C33H29FN6O2S2 and molecular weight 624.18 g/mol. IUPAC: N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide.
Chemical Property Profile of F0514-4002
Property Insights of F0514-4002
The XLogP value of 6.10522 indicates that F0514-4002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.48 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-4002. Following Lipinski's Rule of Five, F0514-4002 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-4002?
The CAS number of F0514-4002 is 362505-83-7.
What is the molecular formula of F0514-4002?
The molecular formula of F0514-4002 is C33H29FN6O2S2.
What is the molecular weight of F0514-4002?
The molecular weight of F0514-4002 is 624.18 g/mol.
Where can I buy F0514-4002?
You can request a quote for F0514-4002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4002?
Yes, KEHONG BIO provides custom synthesis services for F0514-4002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.