A2159/0090687
TL;DR: A2159/0090687 (CAS 342649-06-3) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-acetyl-5-(3,4-dimethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: A2159/0090687, ethyl 1-acetyl-5-(3,4-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ETHYL 1-ACETYL-5-(3,4-DIMETHYLPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE, ethyl 1-acetyl-5-(3,4-dimethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 0.94264 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 860.38257 |
Chemical Identifiers
| CAS Number | 342649-06-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)C(=O)C |
Product Overview
A2159/0090687 (CAS 342649-06-3), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: ethyl 1-acetyl-5-(3,4-dimethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of A2159/0090687
Property Insights of A2159/0090687
The XLogP value of 0.94264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2159/0090687. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A2159/0090687. Following Lipinski's Rule of Five, A2159/0090687 has 0 hydrogen bond donor(s) and 6 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 A2159/0090687?
The CAS number of A2159/0090687 is 342649-06-3.
What is the molecular formula of A2159/0090687?
The molecular formula of A2159/0090687 is C18H19N3O5.
What is the molecular weight of A2159/0090687?
The molecular weight of A2159/0090687 is 357.13 g/mol.
Where can I buy A2159/0090687?
You can request a quote for A2159/0090687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2159/0090687?
Yes, KEHONG BIO provides custom synthesis services for A2159/0090687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.