AO-081/40738469
TL;DR: AO-081/40738469 (CAS 956501-11-4) is a chemical compound with molecular formula C15H14ClN3O4 and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(5-chloro-2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: AO-081/40738469, ethyl 5-(5-chloro-2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 5-(5-chloro-2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C15H14ClN3O4 |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 1.02872 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0673 |
| Heavy Atoms | 23 |
| Complexity | 746.23755 |
Chemical Identifiers
| CAS Number | 956501-11-4 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)C |
Product Overview
AO-081/40738469 (CAS 956501-11-4), with molecular formula C15H14ClN3O4 and molecular weight 335.07 g/mol. IUPAC: ethyl 5-(5-chloro-2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of AO-081/40738469
Property Insights of AO-081/40738469
The XLogP value of 1.02872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40738469. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40738469. Following Lipinski's Rule of Five, AO-081/40738469 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 AO-081/40738469?
The CAS number of AO-081/40738469 is 956501-11-4.
What is the molecular formula of AO-081/40738469?
The molecular formula of AO-081/40738469 is C15H14ClN3O4.
What is the molecular weight of AO-081/40738469?
The molecular weight of AO-081/40738469 is 335.07 g/mol.
Where can I buy AO-081/40738469?
You can request a quote for AO-081/40738469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40738469?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40738469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.