ChemDiv1_020123
TL;DR: ChemDiv1_020123 (CAS 473801-17-1) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-dioxo-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ChemDiv1_020123, BAS 01366417, ethyl 4,6-dioxo-1,5-diphenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 4,6-dioxo-1,5-diphenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 4,6-dioxo-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 1.9839 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 926.7577 |
Chemical Identifiers
| CAS Number | 473801-17-1 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
ChemDiv1_020123 (CAS 473801-17-1), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: ethyl 4,6-dioxo-1,5-diphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_020123
Property Insights of ChemDiv1_020123
The XLogP value of 1.9839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_020123. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020123. Following Lipinski's Rule of Five, ChemDiv1_020123 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 ChemDiv1_020123?
The CAS number of ChemDiv1_020123 is 473801-17-1.
What is the molecular formula of ChemDiv1_020123?
The molecular formula of ChemDiv1_020123 is C20H17N3O4.
What is the molecular weight of ChemDiv1_020123?
The molecular weight of ChemDiv1_020123 is 363.12 g/mol.
Where can I buy ChemDiv1_020123?
You can request a quote for ChemDiv1_020123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020123?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.