F0507-4313
TL;DR: F0507-4313 (CAS 391939-06-3) is a chemical compound with molecular formula C17H13ClFN5O3S and molecular weight 421.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide
Also Known As: F0507-4313, 4-chloro-N-{[4-(4-fluorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide, 4-chloro-N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)-3-nitrobenzamide, 4-chloro-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide, 4-chloro-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide
| Molecular Formula | C17H13ClFN5O3S |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 3.6199 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.04117 |
| Heavy Atoms | 28 |
| Complexity | 1041.7722 |
Chemical Identifiers
| CAS Number | 391939-06-3 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
F0507-4313 (CAS 391939-06-3), with molecular formula C17H13ClFN5O3S and molecular weight 421.04 g/mol. IUPAC: 4-chloro-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide.
Chemical Property Profile of F0507-4313
Property Insights of F0507-4313
The XLogP value of 3.6199 indicates that F0507-4313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-4313. Following Lipinski's Rule of Five, F0507-4313 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0507-4313?
The CAS number of F0507-4313 is 391939-06-3.
What is the molecular formula of F0507-4313?
The molecular formula of F0507-4313 is C17H13ClFN5O3S.
What is the molecular weight of F0507-4313?
The molecular weight of F0507-4313 is 421.04 g/mol.
Where can I buy F0507-4313?
You can request a quote for F0507-4313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-4313?
Yes, KEHONG BIO provides custom synthesis services for F0507-4313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.