A3101/0131295
TL;DR: A3101/0131295 (CAS 578005-95-5) is a chemical compound with molecular formula C23H21F3N2O4 and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]furan-2-carboxamide
Also Known As: A3101/0131295, N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]furan-2-carboxamide, N-(1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl)furan-2-carboxamide, N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]furan-2-carboxamide
| Molecular Formula | C23H21F3N2O4 |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 3.9961 |
| Topological Polar Surface Area | 79.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.14536 |
| Heavy Atoms | 32 |
| Complexity | 1104.0162 |
Chemical Identifiers
| CAS Number | 578005-95-5 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3=CC=CC=C3)(C(F)(F)F)NC(=O)C4=CC=CO4)C |
Product Overview
A3101/0131295 (CAS 578005-95-5), with molecular formula C23H21F3N2O4 and molecular weight 446.15 g/mol. IUPAC: N-[1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]furan-2-carboxamide.
Chemical Property Profile of A3101/0131295
Property Insights of A3101/0131295
The XLogP value of 3.9961 indicates that A3101/0131295 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.62 Ų falls within the moderate polarity range, balancing permeability and solubility for A3101/0131295. Following Lipinski's Rule of Five, A3101/0131295 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 A3101/0131295?
The CAS number of A3101/0131295 is 578005-95-5.
What is the molecular formula of A3101/0131295?
The molecular formula of A3101/0131295 is C23H21F3N2O4.
What is the molecular weight of A3101/0131295?
The molecular weight of A3101/0131295 is 446.15 g/mol.
Where can I buy A3101/0131295?
You can request a quote for A3101/0131295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3101/0131295?
Yes, KEHONG BIO provides custom synthesis services for A3101/0131295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.