F0514-4020
TL;DR: F0514-4020 (CAS 362505-96-2) is a chemical compound with molecular formula C36H36N6O5S2 and molecular weight 696.22 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]-2-phenylacetamide
Also Known As: F0514-4020, 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}-2-phenylacetamide, 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)-2-phenylacetamide, 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]-2-phenylacetamide
| Molecular Formula | C36H36N6O5S2 |
|---|---|
| Molecular Weight | 696.22 g/mol |
| LogP | 6.0736 |
| Topological Polar Surface Area | 120.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 696.2189 |
| Heavy Atoms | 49 |
| Complexity | 1912.1177 |
Chemical Identifiers
| CAS Number | 362505-96-2 |
|---|---|
| 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)CC6=CC=CC=C6 |
Product Overview
F0514-4020 (CAS 362505-96-2), with molecular formula C36H36N6O5S2 and molecular weight 696.22 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]-2-phenylacetamide.
Chemical Property Profile of F0514-4020
Property Insights of F0514-4020
The XLogP value of 6.0736 indicates that F0514-4020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.17 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-4020. Following Lipinski's Rule of Five, F0514-4020 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-4020?
The CAS number of F0514-4020 is 362505-96-2.
What is the molecular formula of F0514-4020?
The molecular formula of F0514-4020 is C36H36N6O5S2.
What is the molecular weight of F0514-4020?
The molecular weight of F0514-4020 is 696.22 g/mol.
Where can I buy F0514-4020?
You can request a quote for F0514-4020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4020?
Yes, KEHONG BIO provides custom synthesis services for F0514-4020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.