F0514-4176
TL;DR: F0514-4176 (CAS 393585-80-3) is a chemical compound with molecular formula C29H30N6O5S2 and molecular weight 606.17 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-methyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: F0514-4176, N-((5-((2-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide, N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide, N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
| Molecular Formula | C29H30N6O5S2 |
|---|---|
| Molecular Weight | 606.17 g/mol |
| LogP | 4.059 |
| Topological Polar Surface Area | 120.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 606.17194 |
| Heavy Atoms | 42 |
| Complexity | 1557.9597 |
Chemical Identifiers
| CAS Number | 393585-80-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=C(C(=CC=C4)OC)OC)CNC(=O)COC5=CC=CC=C5 |
Product Overview
F0514-4176 (CAS 393585-80-3), with molecular formula C29H30N6O5S2 and molecular weight 606.17 g/mol. IUPAC: N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
Chemical Property Profile of F0514-4176
Property Insights of F0514-4176
The XLogP value of 4.059 indicates that F0514-4176 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 F0514-4176. Following Lipinski's Rule of Five, F0514-4176 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 F0514-4176?
The CAS number of F0514-4176 is 393585-80-3.
What is the molecular formula of F0514-4176?
The molecular formula of F0514-4176 is C29H30N6O5S2.
What is the molecular weight of F0514-4176?
The molecular weight of F0514-4176 is 606.17 g/mol.
Where can I buy F0514-4176?
You can request a quote for F0514-4176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4176?
Yes, KEHONG BIO provides custom synthesis services for F0514-4176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.