F0514-4596
TL;DR: F0514-4596 (CAS 393586-46-4) is a chemical compound with molecular formula C33H32N6O6S2 and molecular weight 672.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: F0514-4596, N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide, N-((5-((2-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C33H32N6O6S2 |
|---|---|
| Molecular Weight | 672.18 g/mol |
| LogP | 5.7377 |
| Topological Polar Surface Area | 133.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 672.1825 |
| Heavy Atoms | 47 |
| Complexity | 1854.6941 |
Chemical Identifiers
| CAS Number | 393586-46-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=C(C(=CC=C5)OC)OC)CNC(=O)C6=CC=CO6 |
Product Overview
F0514-4596 (CAS 393586-46-4), with molecular formula C33H32N6O6S2 and molecular weight 672.18 g/mol. IUPAC: N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of F0514-4596
Property Insights of F0514-4596
The XLogP value of 5.7377 indicates that F0514-4596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.31 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-4596. Following Lipinski's Rule of Five, F0514-4596 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-4596?
The CAS number of F0514-4596 is 393586-46-4.
What is the molecular formula of F0514-4596?
The molecular formula of F0514-4596 is C33H32N6O6S2.
What is the molecular weight of F0514-4596?
The molecular weight of F0514-4596 is 672.18 g/mol.
Where can I buy F0514-4596?
You can request a quote for F0514-4596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4596?
Yes, KEHONG BIO provides custom synthesis services for F0514-4596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.