AO-081/40801134
TL;DR: AO-081/40801134 (CAS 495385-56-3) is a chemical compound with molecular formula C14H12ClN3O4 and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-chlorophenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: AO-081/40801134, methyl 5-(4-chlorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-chlorophenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C14H12ClN3O4 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 0.7203 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.05164 |
| Heavy Atoms | 22 |
| Complexity | 715.30304 |
Chemical Identifiers
| CAS Number | 495385-56-3 |
|---|---|
| SMILES | CC12C(C(=NN1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
AO-081/40801134 (CAS 495385-56-3), with molecular formula C14H12ClN3O4 and molecular weight 321.05 g/mol. IUPAC: methyl 5-(4-chlorophenyl)-6a-methyl-4,6-dioxo-1,3a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of AO-081/40801134
Property Insights of AO-081/40801134
The XLogP value of 0.7203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40801134. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40801134. Following Lipinski's Rule of Five, AO-081/40801134 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-081/40801134?
The CAS number of AO-081/40801134 is 495385-56-3.
What is the molecular formula of AO-081/40801134?
The molecular formula of AO-081/40801134 is C14H12ClN3O4.
What is the molecular weight of AO-081/40801134?
The molecular weight of AO-081/40801134 is 321.05 g/mol.
Where can I buy AO-081/40801134?
You can request a quote for AO-081/40801134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40801134?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40801134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.