AT-057/43468678
TL;DR: AT-057/43468678 (CAS 696629-01-3) is a chemical compound with molecular formula C21H18FN3O3 and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(2-fluorophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
Also Known As: AT-057/43468678, ethyl 4-[4-(2-fluorophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate, A3589/0152224, ethyl 4-[4-(2-fluorophenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoate, ethyl 4-(4-(2-fluorophenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate
| Molecular Formula | C21H18FN3O3 |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 3.78372 |
| Topological Polar Surface Area | 75.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1332 |
| Heavy Atoms | 28 |
| Complexity | 1059.0127 |
Chemical Identifiers
| CAS Number | 696629-01-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC=CC=C4F |
Product Overview
AT-057/43468678 (CAS 696629-01-3), with molecular formula C21H18FN3O3 and molecular weight 379.13 g/mol. IUPAC: ethyl 4-[4-(2-fluorophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate.
Chemical Property Profile of AT-057/43468678
Property Insights of AT-057/43468678
The XLogP value of 3.78372 indicates that AT-057/43468678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/43468678. Following Lipinski's Rule of Five, AT-057/43468678 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 AT-057/43468678?
The CAS number of AT-057/43468678 is 696629-01-3.
What is the molecular formula of AT-057/43468678?
The molecular formula of AT-057/43468678 is C21H18FN3O3.
What is the molecular weight of AT-057/43468678?
The molecular weight of AT-057/43468678 is 379.13 g/mol.
Where can I buy AT-057/43468678?
You can request a quote for AT-057/43468678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43468678?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43468678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.