F0514-1083
TL;DR: F0514-1083 (CAS 393583-90-9) is a chemical compound with molecular formula C33H29N7O5S2 and molecular weight 667.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[[5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0514-1083, 4-methoxy-N-((4-(4-nitrophenyl)-5-((2-oxo-2-(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-methoxy-N-{[5-({2-[5-(4-methylphenyl)-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}benzamide, 4-methoxy-N-[[5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C33H29N7O5S2 |
|---|---|
| Molecular Weight | 667.17 g/mol |
| LogP | 5.95402 |
| Topological Polar Surface Area | 144.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 667.1672 |
| Heavy Atoms | 47 |
| Complexity | 1923.6316 |
Chemical Identifiers
| CAS Number | 393583-90-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=C(C=C5)OC)C6=CC=CS6 |
Product Overview
F0514-1083 (CAS 393583-90-9), with molecular formula C33H29N7O5S2 and molecular weight 667.17 g/mol. IUPAC: 4-methoxy-N-[[5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0514-1083
Property Insights of F0514-1083
The XLogP value of 5.95402 indicates that F0514-1083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.85 Ų indicates high polarity, suggesting F0514-1083 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0514-1083 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 F0514-1083?
The CAS number of F0514-1083 is 393583-90-9.
What is the molecular formula of F0514-1083?
The molecular formula of F0514-1083 is C33H29N7O5S2.
What is the molecular weight of F0514-1083?
The molecular weight of F0514-1083 is 667.17 g/mol.
Where can I buy F0514-1083?
You can request a quote for F0514-1083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-1083?
Yes, KEHONG BIO provides custom synthesis services for F0514-1083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.