AT-057/43468836
TL;DR: AT-057/43468836 (CAS 697246-17-6) is a chemical compound with molecular formula C24H18FN3O4 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(2-fluorophenyl)-3-(furan-2-yl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
Also Known As: AT-057/43468836, A3659/0155093, ethyl 4-[4-(2-fluorophenyl)-3-(furan-2-yl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate, ethyl 4-(4-(2-fluorophenyl)-3-(2-furyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate, Ethyl 4-[4-(2-fluorophenyl)-3-(2-furanyl)-4,6-dihydro-6-oxopyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate
| Molecular Formula | C24H18FN3O4 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 4.7353 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.12814 |
| Heavy Atoms | 32 |
| Complexity | 1295.2977 |
Chemical Identifiers
| CAS Number | 697246-17-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C4=CC=CO4)C5=CC=CC=C5F |
Product Overview
AT-057/43468836 (CAS 697246-17-6), with molecular formula C24H18FN3O4 and molecular weight 431.13 g/mol. IUPAC: ethyl 4-[4-(2-fluorophenyl)-3-(furan-2-yl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate.
Chemical Property Profile of AT-057/43468836
Property Insights of AT-057/43468836
The XLogP value of 4.7353 indicates that AT-057/43468836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/43468836. Following Lipinski's Rule of Five, AT-057/43468836 has 1 hydrogen bond donor(s) and 5 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 AT-057/43468836?
The CAS number of AT-057/43468836 is 697246-17-6.
What is the molecular formula of AT-057/43468836?
The molecular formula of AT-057/43468836 is C24H18FN3O4.
What is the molecular weight of AT-057/43468836?
The molecular weight of AT-057/43468836 is 431.13 g/mol.
Where can I buy AT-057/43468836?
You can request a quote for AT-057/43468836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43468836?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43468836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.