AO-081/14337012
TL;DR: AO-081/14337012 (CAS 495381-33-4) is a chemical compound with molecular formula C15H12ClN3O5 and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-acetyl-5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: AO-081/14337012, methyl 1-acetyl-5-(4-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 1-acetyl-5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C15H12ClN3O5 |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 0.5891 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.04654 |
| Heavy Atoms | 24 |
| Complexity | 788.8042 |
Chemical Identifiers
| CAS Number | 495381-33-4 |
|---|---|
| SMILES | CC(=O)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
AO-081/14337012 (CAS 495381-33-4), with molecular formula C15H12ClN3O5 and molecular weight 349.05 g/mol. IUPAC: methyl 1-acetyl-5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of AO-081/14337012
Property Insights of AO-081/14337012
The XLogP value of 0.5891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/14337012. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/14337012. Following Lipinski's Rule of Five, AO-081/14337012 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-081/14337012?
The CAS number of AO-081/14337012 is 495381-33-4.
What is the molecular formula of AO-081/14337012?
The molecular formula of AO-081/14337012 is C15H12ClN3O5.
What is the molecular weight of AO-081/14337012?
The molecular weight of AO-081/14337012 is 349.05 g/mol.
Where can I buy AO-081/14337012?
You can request a quote for AO-081/14337012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/14337012?
Yes, KEHONG BIO provides custom synthesis services for AO-081/14337012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.