F0772-0095
TL;DR: F0772-0095 (CAS 394243-43-7) is a chemical compound with molecular formula C28H26FN5O3S and molecular weight 531.17 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-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
Also Known As: F0772-0095, N-((4-(4-ethoxyphenyl)-5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3-fluorobenzamide, N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl]-3-fluorobenzamide, N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
| Molecular Formula | C28H26FN5O3S |
|---|---|
| Molecular Weight | 531.17 g/mol |
| LogP | 4.4165 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.174 |
| Heavy Atoms | 38 |
| Complexity | 1457.1368 |
Chemical Identifiers
| CAS Number | 394243-43-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC(=CC=C5)F |
Product Overview
F0772-0095 (CAS 394243-43-7), with molecular formula C28H26FN5O3S and molecular weight 531.17 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide.
Chemical Property Profile of F0772-0095
Property Insights of F0772-0095
The XLogP value of 4.4165 indicates that F0772-0095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F0772-0095. Following Lipinski's Rule of Five, F0772-0095 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0772-0095?
The CAS number of F0772-0095 is 394243-43-7.
What is the molecular formula of F0772-0095?
The molecular formula of F0772-0095 is C28H26FN5O3S.
What is the molecular weight of F0772-0095?
The molecular weight of F0772-0095 is 531.17 g/mol.
Where can I buy F0772-0095?
You can request a quote for F0772-0095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0095?
Yes, KEHONG BIO provides custom synthesis services for F0772-0095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.