ChemDiv1_022229
TL;DR: ChemDiv1_022229 (CAS 2997-63-9) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-dioxo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ChemDiv1_022229, BAS 00342684, ethyl 4,6-dioxo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, J1.628.582J
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 0.0669 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 640.879 |
Chemical Identifiers
| CAS Number | 2997-63-9 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC=C3 |
Product Overview
ChemDiv1_022229 (CAS 2997-63-9), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: ethyl 4,6-dioxo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_022229
Property Insights of ChemDiv1_022229
The XLogP value of 0.0669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_022229. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022229. Following Lipinski's Rule of Five, ChemDiv1_022229 has 1 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 ChemDiv1_022229?
The CAS number of ChemDiv1_022229 is 2997-63-9.
What is the molecular formula of ChemDiv1_022229?
The molecular formula of ChemDiv1_022229 is C14H13N3O4.
What is the molecular weight of ChemDiv1_022229?
The molecular weight of ChemDiv1_022229 is 287.09 g/mol.
Where can I buy ChemDiv1_022229?
You can request a quote for ChemDiv1_022229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022229?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.