F0514-4579
TL;DR: F0514-4579 (CAS 393586-37-3) is a chemical compound with molecular formula C31H28N6O4S2 and molecular weight 612.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: F0514-4579, N-{[5-({2-[5-(4-methoxyphenyl)-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}furan-2-carboxamide, N-((5-((2-(5-(4-methoxyphenyl)-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)furan-2-carboxamide, N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C31H28N6O4S2 |
|---|---|
| Molecular Weight | 612.16 g/mol |
| LogP | 5.63882 |
| Topological Polar Surface Area | 114.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 612.1613 |
| Heavy Atoms | 43 |
| Complexity | 1747.1494 |
Chemical Identifiers
| CAS Number | 393586-37-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC)CNC(=O)C6=CC=CO6 |
Product Overview
F0514-4579 (CAS 393586-37-3), with molecular formula C31H28N6O4S2 and molecular weight 612.16 g/mol. IUPAC: N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of F0514-4579
Property Insights of F0514-4579
The XLogP value of 5.63882 indicates that F0514-4579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.85 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-4579. Following Lipinski's Rule of Five, F0514-4579 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 F0514-4579?
The CAS number of F0514-4579 is 393586-37-3.
What is the molecular formula of F0514-4579?
The molecular formula of F0514-4579 is C31H28N6O4S2.
What is the molecular weight of F0514-4579?
The molecular weight of F0514-4579 is 612.16 g/mol.
Where can I buy F0514-4579?
You can request a quote for F0514-4579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4579?
Yes, KEHONG BIO provides custom synthesis services for F0514-4579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.