F0514-4051
TL;DR: F0514-4051 (CAS 393585-07-4) is a chemical compound with molecular formula C33H29ClN6O4S2 and molecular weight 672.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3-chlorophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: F0514-4051, N-((4-(3-chlorophenyl)-5-((2-(5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide, N-[[4-(3-chlorophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide, N-{[4-(3-chlorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
| Molecular Formula | C33H29ClN6O4S2 |
|---|---|
| Molecular Weight | 672.14 g/mol |
| LogP | 6.156 |
| Topological Polar Surface Area | 110.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 672.138 |
| Heavy Atoms | 46 |
| Complexity | 1830.691 |
Chemical Identifiers
| CAS Number | 393585-07-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)CNC(=O)COC5=CC=CC=C5)C6=CC=CS6 |
Product Overview
F0514-4051 (CAS 393585-07-4), with molecular formula C33H29ClN6O4S2 and molecular weight 672.14 g/mol. IUPAC: N-[[4-(3-chlorophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
Chemical Property Profile of F0514-4051
Property Insights of F0514-4051
The XLogP value of 6.156 indicates that F0514-4051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.94 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-4051. Following Lipinski's Rule of Five, F0514-4051 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 F0514-4051?
The CAS number of F0514-4051 is 393585-07-4.
What is the molecular formula of F0514-4051?
The molecular formula of F0514-4051 is C33H29ClN6O4S2.
What is the molecular weight of F0514-4051?
The molecular weight of F0514-4051 is 672.14 g/mol.
Where can I buy F0514-4051?
You can request a quote for F0514-4051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4051?
Yes, KEHONG BIO provides custom synthesis services for F0514-4051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.