A3281/0139590
TL;DR: A3281/0139590 (CAS 577698-91-0) is a chemical compound with molecular formula C22H18F4N2O3S and molecular weight 466.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]thiophene-2-carboxamide
Also Known As: A3281/0139590, N-[1-(4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]thiophene-2-carboxamide, N-(1-(4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)thiophene-2-carboxamide, N-[1-(4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]thiophene-2-carboxamide
| Molecular Formula | C22H18F4N2O3S |
|---|---|
| Molecular Weight | 466.10 g/mol |
| LogP | 4.6081 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.0974 |
| Heavy Atoms | 32 |
| Complexity | 1136.9258 |
Chemical Identifiers
| CAS Number | 577698-91-0 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(C(=O)N2C3=CC=C(C=C3)F)(C(F)(F)F)NC(=O)C4=CC=CS4)C |
Product Overview
A3281/0139590 (CAS 577698-91-0), with molecular formula C22H18F4N2O3S and molecular weight 466.10 g/mol. IUPAC: N-[1-(4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]thiophene-2-carboxamide.
Chemical Property Profile of A3281/0139590
Property Insights of A3281/0139590
The XLogP value of 4.6081 indicates that A3281/0139590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for A3281/0139590. Following Lipinski's Rule of Five, A3281/0139590 has 1 hydrogen bond donor(s) and 4 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 A3281/0139590?
The CAS number of A3281/0139590 is 577698-91-0.
What is the molecular formula of A3281/0139590?
The molecular formula of A3281/0139590 is C22H18F4N2O3S.
What is the molecular weight of A3281/0139590?
The molecular weight of A3281/0139590 is 466.10 g/mol.
Where can I buy A3281/0139590?
You can request a quote for A3281/0139590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3281/0139590?
Yes, KEHONG BIO provides custom synthesis services for A3281/0139590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.