ChemDiv1_012555
TL;DR: ChemDiv1_012555 (CAS 310449-64-0) is a chemical compound with molecular formula C28H24F3N5O3S and molecular weight 567.16 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-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide
Also Known As: ChemDiv1_012555, F0507-2391, F0772-0911, N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)-3-methoxybenzamide, N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
| Molecular Formula | C28H24F3N5O3S |
|---|---|
| Molecular Weight | 567.16 g/mol |
| LogP | 4.9061 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 567.1552 |
| Heavy Atoms | 40 |
| Complexity | 1556.1897 |
Chemical Identifiers
| CAS Number | 310449-64-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC(=O)N4CCC5=CC=CC=C54 |
Product Overview
ChemDiv1_012555 (CAS 310449-64-0), with molecular formula C28H24F3N5O3S and molecular weight 567.16 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide.
Chemical Property Profile of ChemDiv1_012555
Property Insights of ChemDiv1_012555
The XLogP value of 4.9061 indicates that ChemDiv1_012555 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 ChemDiv1_012555. Following Lipinski's Rule of Five, ChemDiv1_012555 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 ChemDiv1_012555?
The CAS number of ChemDiv1_012555 is 310449-64-0.
What is the molecular formula of ChemDiv1_012555?
The molecular formula of ChemDiv1_012555 is C28H24F3N5O3S.
What is the molecular weight of ChemDiv1_012555?
The molecular weight of ChemDiv1_012555 is 567.16 g/mol.
Where can I buy ChemDiv1_012555?
You can request a quote for ChemDiv1_012555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.