BAS 00552026
TL;DR: BAS 00552026 (CAS 340982-93-6) is a chemical compound with molecular formula C14H11Cl2N3O4 and molecular weight 355.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: BAS 00552026, ethyl 5-(3,4-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, A1535/0066748, ethyl 5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, ETHYL 5-(3,4-DICHLOROPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
| Molecular Formula | C14H11Cl2N3O4 |
|---|---|
| Molecular Weight | 355.01 g/mol |
| LogP | 1.3737 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.01266 |
| Heavy Atoms | 23 |
| Complexity | 749.53796 |
Chemical Identifiers
| CAS Number | 340982-93-6 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
BAS 00552026 (CAS 340982-93-6), with molecular formula C14H11Cl2N3O4 and molecular weight 355.01 g/mol. IUPAC: ethyl 5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of BAS 00552026
Property Insights of BAS 00552026
The XLogP value of 1.3737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00552026. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00552026. Following Lipinski's Rule of Five, BAS 00552026 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 BAS 00552026?
The CAS number of BAS 00552026 is 340982-93-6.
What is the molecular formula of BAS 00552026?
The molecular formula of BAS 00552026 is C14H11Cl2N3O4.
What is the molecular weight of BAS 00552026?
The molecular weight of BAS 00552026 is 355.01 g/mol.
Where can I buy BAS 00552026?
You can request a quote for BAS 00552026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552026?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.