3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
TL;DR: 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one (CAS 879624-31-4) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
Also Known As: 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one, 3-[(4-ethoxyphenyl)amino]-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 3-[(4-ethoxyphenyl)amino]-1-phenyl-1H-5,6,7-trihydroindazol-4-one, 3-[(4-ETHOXYPHENYL)AMINO]-1-PHENYL-4,5,6,7-TETRAHYDRO-1H-INDAZOL-4-ONE
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 4.5336 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 914.4342 |
Chemical Identifiers
| CAS Number | 879624-31-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=NN(C3=C2C(=O)CCC3)C4=CC=CC=C4 |
Product Overview
3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one (CAS 879624-31-4), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one.
Chemical Property Profile of 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
Property Insights of 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
The XLogP value of 4.5336 indicates that 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one 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 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The CAS number of 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one is 879624-31-4.
What is the molecular formula of 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The molecular formula of 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one is C21H21N3O2.
What is the molecular weight of 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The molecular weight of 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one is 347.16 g/mol.
Where can I buy 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
You can request a quote for 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.