AT-057/43468682
TL;DR: AT-057/43468682 (CAS 577696-76-5) is a chemical compound with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-methyl-6-oxo-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate
Also Known As: AT-057/43468682, ethyl 4-(3-methyl-6-oxo-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate, ethyl 4-(3-methyl-6-oxo-4-(2-pyridinyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate, ethyl 4-(3-methyl-6-oxo-4-(pyridin-2-yl)pyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate, ethyl 4-[3-methyl-6-oxo-4-(pyridin-2-yl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]benzoate
| Molecular Formula | C20H18N4O3 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 3.03962 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.13788 |
| Heavy Atoms | 27 |
| Complexity | 995.8261 |
Chemical Identifiers
| CAS Number | 577696-76-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC=CC=N4 |
Product Overview
AT-057/43468682 (CAS 577696-76-5), with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol. IUPAC: ethyl 4-(3-methyl-6-oxo-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate.
Chemical Property Profile of AT-057/43468682
Property Insights of AT-057/43468682
The XLogP value of 3.03962 indicates that AT-057/43468682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/43468682. Following Lipinski's Rule of Five, AT-057/43468682 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-057/43468682?
The CAS number of AT-057/43468682 is 577696-76-5.
What is the molecular formula of AT-057/43468682?
The molecular formula of AT-057/43468682 is C20H18N4O3.
What is the molecular weight of AT-057/43468682?
The molecular weight of AT-057/43468682 is 362.14 g/mol.
Where can I buy AT-057/43468682?
You can request a quote for AT-057/43468682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43468682?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43468682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.