AO-080/41809644
TL;DR: AO-080/41809644 (CAS 957296-69-4) is a chemical compound with molecular formula C20H16BrN3O4 and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-bromophenyl)-1-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: AO-080/41809644, methyl 5-(4-bromophenyl)-1-(2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-bromophenyl)-1-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-bromophenyl)-4,6-dioxo-1-(o-tolyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C20H16BrN3O4 |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 2.66472 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.0324 |
| Heavy Atoms | 28 |
| Complexity | 1018.3658 |
Chemical Identifiers
| CAS Number | 957296-69-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C3C(C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=C(C=C4)Br |
Product Overview
AO-080/41809644 (CAS 957296-69-4), with molecular formula C20H16BrN3O4 and molecular weight 441.03 g/mol. IUPAC: methyl 5-(4-bromophenyl)-1-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of AO-080/41809644
Property Insights of AO-080/41809644
The XLogP value of 2.66472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/41809644. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41809644. Following Lipinski's Rule of Five, AO-080/41809644 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 AO-080/41809644?
The CAS number of AO-080/41809644 is 957296-69-4.
What is the molecular formula of AO-080/41809644?
The molecular formula of AO-080/41809644 is C20H16BrN3O4.
What is the molecular weight of AO-080/41809644?
The molecular weight of AO-080/41809644 is 441.03 g/mol.
Where can I buy AO-080/41809644?
You can request a quote for AO-080/41809644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41809644?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41809644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.