A3562/0151096
TL;DR: A3562/0151096 (CAS 957046-88-7) is a chemical compound with molecular formula C16H13Cl2N3O5 and molecular weight 397.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-acetyl-5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: A3562/0151096, ethyl 1-acetyl-5-(3,4-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 1-acetyl-5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C16H13Cl2N3O5 |
|---|---|
| Molecular Weight | 397.02 g/mol |
| LogP | 1.6326 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.02322 |
| Heavy Atoms | 26 |
| Complexity | 869.4412 |
Chemical Identifiers
| CAS Number | 957046-88-7 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C |
Product Overview
A3562/0151096 (CAS 957046-88-7), with molecular formula C16H13Cl2N3O5 and molecular weight 397.02 g/mol. IUPAC: ethyl 1-acetyl-5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of A3562/0151096
Property Insights of A3562/0151096
The XLogP value of 1.6326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3562/0151096. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A3562/0151096. Following Lipinski's Rule of Five, A3562/0151096 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 A3562/0151096?
The CAS number of A3562/0151096 is 957046-88-7.
What is the molecular formula of A3562/0151096?
The molecular formula of A3562/0151096 is C16H13Cl2N3O5.
What is the molecular weight of A3562/0151096?
The molecular weight of A3562/0151096 is 397.02 g/mol.
Where can I buy A3562/0151096?
You can request a quote for A3562/0151096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3562/0151096?
Yes, KEHONG BIO provides custom synthesis services for A3562/0151096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.