F0514-4548
TL;DR: F0514-4548 (CAS 393586-20-4) is a chemical compound with molecular formula C31H27N7O7S2 and molecular weight 673.14 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-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: F0514-4548, N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-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}sulfanyl)-4-(4-nitrophenyl)-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-nitrophenyl)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide
| Molecular Formula | C31H27N7O7S2 |
|---|---|
| Molecular Weight | 673.14 g/mol |
| LogP | 5.2472 |
| Topological Polar Surface Area | 167.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 673.14136 |
| Heavy Atoms | 47 |
| Complexity | 1923.6945 |
Chemical Identifiers
| CAS Number | 393586-20-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=CO5)C6=CC=CS6 |
Product Overview
F0514-4548 (CAS 393586-20-4), with molecular formula C31H27N7O7S2 and molecular weight 673.14 g/mol. IUPAC: N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of F0514-4548
Property Insights of F0514-4548
The XLogP value of 5.2472 indicates that F0514-4548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.22 Ų indicates high polarity, suggesting F0514-4548 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0514-4548 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-4548?
The CAS number of F0514-4548 is 393586-20-4.
What is the molecular formula of F0514-4548?
The molecular formula of F0514-4548 is C31H27N7O7S2.
What is the molecular weight of F0514-4548?
The molecular weight of F0514-4548 is 673.14 g/mol.
Where can I buy F0514-4548?
You can request a quote for F0514-4548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4548?
Yes, KEHONG BIO provides custom synthesis services for F0514-4548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.