F0514-4554
TL;DR: F0514-4554 (CAS 393586-22-6) is a chemical compound with molecular formula C31H27FN6O3S2 and molecular weight 614.16 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-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: F0514-4554, N-{[4-(2,3-dimethylphenyl)-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}furan-2-carboxamide, N-((4-(2,3-dimethylphenyl)-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)furan-2-carboxamide, N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C31H27FN6O3S2 |
|---|---|
| Molecular Weight | 614.16 g/mol |
| LogP | 6.07774 |
| Topological Polar Surface Area | 105.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 614.157 |
| Heavy Atoms | 43 |
| Complexity | 1782.5386 |
Chemical Identifiers
| CAS Number | 393586-22-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC=CO6)C |
Product Overview
F0514-4554 (CAS 393586-22-6), with molecular formula C31H27FN6O3S2 and molecular weight 614.16 g/mol. IUPAC: N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of F0514-4554
Property Insights of F0514-4554
The XLogP value of 6.07774 indicates that F0514-4554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.62 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-4554. Following Lipinski's Rule of Five, F0514-4554 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 F0514-4554?
The CAS number of F0514-4554 is 393586-22-6.
What is the molecular formula of F0514-4554?
The molecular formula of F0514-4554 is C31H27FN6O3S2.
What is the molecular weight of F0514-4554?
The molecular weight of F0514-4554 is 614.16 g/mol.
Where can I buy F0514-4554?
You can request a quote for F0514-4554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4554?
Yes, KEHONG BIO provides custom synthesis services for F0514-4554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.