F0528-0111
TL;DR: F0528-0111 (CAS 476431-69-3) is a chemical compound with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: F0528-0111, N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide, N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
| Molecular Formula | C28H27N5O4S |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 3.8959 |
| Topological Polar Surface Area | 98.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.1784 |
| Heavy Atoms | 38 |
| Complexity | 1436.6417 |
Chemical Identifiers
| CAS Number | 476431-69-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N4CCC5=CC=CC=C54 |
Product Overview
F0528-0111 (CAS 476431-69-3), with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of F0528-0111
Property Insights of F0528-0111
The XLogP value of 3.8959 indicates that F0528-0111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.58 Ų falls within the moderate polarity range, balancing permeability and solubility for F0528-0111. Following Lipinski's Rule of Five, F0528-0111 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0528-0111?
The CAS number of F0528-0111 is 476431-69-3.
What is the molecular formula of F0528-0111?
The molecular formula of F0528-0111 is C28H27N5O4S.
What is the molecular weight of F0528-0111?
The molecular weight of F0528-0111 is 529.18 g/mol.
Where can I buy F0528-0111?
You can request a quote for F0528-0111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0111?
Yes, KEHONG BIO provides custom synthesis services for F0528-0111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.