A1661/0070760
TL;DR: A1661/0070760 (CAS 473443-35-5) is a chemical compound with molecular formula C13H9Cl2N3O4 and molecular weight 341.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: A1661/0070760, methyl 5-(3,4-dichlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(3,4-dichlorophenyl)-4,6-dioxo-3,5,3a,6a-tetrahydro-2,3,5-triazapenta lenecarboxylate
| Molecular Formula | C13H9Cl2N3O4 |
|---|---|
| Molecular Weight | 341.00 g/mol |
| LogP | 0.9836 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.997 |
| Heavy Atoms | 22 |
| Complexity | 733.9954 |
Chemical Identifiers
| CAS Number | 473443-35-5 |
|---|---|
| SMILES | COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
A1661/0070760 (CAS 473443-35-5), with molecular formula C13H9Cl2N3O4 and molecular weight 341.00 g/mol. IUPAC: methyl 5-(3,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of A1661/0070760
Property Insights of A1661/0070760
The XLogP value of 0.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1661/0070760. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A1661/0070760. Following Lipinski's Rule of Five, A1661/0070760 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 A1661/0070760?
The CAS number of A1661/0070760 is 473443-35-5.
What is the molecular formula of A1661/0070760?
The molecular formula of A1661/0070760 is C13H9Cl2N3O4.
What is the molecular weight of A1661/0070760?
The molecular weight of A1661/0070760 is 341.00 g/mol.
Where can I buy A1661/0070760?
You can request a quote for A1661/0070760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1661/0070760?
Yes, KEHONG BIO provides custom synthesis services for A1661/0070760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.