Bionet1_002758
TL;DR: Bionet1_002758 (CAS 321522-05-8) 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-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: Bionet1_002758, BAS 01201637, BIM-0047809.P001, ethyl 5-(2,4-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, 12L-917
| 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 | 321522-05-8 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
Bionet1_002758 (CAS 321522-05-8), with molecular formula C14H11Cl2N3O4 and molecular weight 355.01 g/mol. IUPAC: ethyl 5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of Bionet1_002758
Property Insights of Bionet1_002758
The XLogP value of 1.3737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002758. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002758. Following Lipinski's Rule of Five, Bionet1_002758 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 Bionet1_002758?
The CAS number of Bionet1_002758 is 321522-05-8.
What is the molecular formula of Bionet1_002758?
The molecular formula of Bionet1_002758 is C14H11Cl2N3O4.
What is the molecular weight of Bionet1_002758?
The molecular weight of Bionet1_002758 is 355.01 g/mol.
Where can I buy Bionet1_002758?
You can request a quote for Bionet1_002758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002758?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.