F0514-4537
TL;DR: F0514-4537 (CAS 393586-13-5) is a chemical compound with molecular formula C32H26BrN7O5S and molecular weight 699.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: F0514-4537, N-((5-((2-(3-(4-bromophenyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[5-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide, N-{[5-({2-[3-(4-BROMOPHENYL)-5-(4-METHYLPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-OXOETHYL}SULFANYL)-4-(4-NITROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}FURAN-2-CARBOXAMIDE
| Molecular Formula | C32H26BrN7O5S |
|---|---|
| Molecular Weight | 699.09 g/mol |
| LogP | 6.23942 |
| Topological Polar Surface Area | 148.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 699.08997 |
| Heavy Atoms | 46 |
| Complexity | 1907.9503 |
Chemical Identifiers
| CAS Number | 393586-13-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=CO5)C6=CC=C(C=C6)Br |
Product Overview
F0514-4537 (CAS 393586-13-5), with molecular formula C32H26BrN7O5S and molecular weight 699.09 g/mol. IUPAC: N-[[5-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-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 F0514-4537
Property Insights of F0514-4537
The XLogP value of 6.23942 indicates that F0514-4537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.76 Ų indicates high polarity, suggesting F0514-4537 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0514-4537 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 F0514-4537?
The CAS number of F0514-4537 is 393586-13-5.
What is the molecular formula of F0514-4537?
The molecular formula of F0514-4537 is C32H26BrN7O5S.
What is the molecular weight of F0514-4537?
The molecular weight of F0514-4537 is 699.09 g/mol.
Where can I buy F0514-4537?
You can request a quote for F0514-4537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4537?
Yes, KEHONG BIO provides custom synthesis services for F0514-4537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.