F0507-4857
TL;DR: F0507-4857 (CAS 391940-91-3) is a chemical compound with molecular formula C26H21N7O4S2 and molecular weight 559.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
Also Known As: F0507-4857, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-methyl-3-nitrobenzamide, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
| Molecular Formula | C26H21N7O4S2 |
|---|---|
| Molecular Weight | 559.11 g/mol |
| LogP | 4.75442 |
| Topological Polar Surface Area | 144.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 559.1096 |
| Heavy Atoms | 39 |
| Complexity | 1651.4773 |
Chemical Identifiers
| CAS Number | 391940-91-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-] |
Product Overview
F0507-4857 (CAS 391940-91-3), with molecular formula C26H21N7O4S2 and molecular weight 559.11 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of F0507-4857
Property Insights of F0507-4857
The XLogP value of 4.75442 indicates that F0507-4857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.94 Ų indicates high polarity, suggesting F0507-4857 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0507-4857 has 2 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 F0507-4857?
The CAS number of F0507-4857 is 391940-91-3.
What is the molecular formula of F0507-4857?
The molecular formula of F0507-4857 is C26H21N7O4S2.
What is the molecular weight of F0507-4857?
The molecular weight of F0507-4857 is 559.11 g/mol.
Where can I buy F0507-4857?
You can request a quote for F0507-4857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-4857?
Yes, KEHONG BIO provides custom synthesis services for F0507-4857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.