AO-081/41192392
TL;DR: AO-081/41192392 (CAS 495388-10-8) is a chemical compound with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzoyl-5-ethyl-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: AO-081/41192392, ethyl 1-benzoyl-5-ethyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 1-benzoyl-5-ethyl-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate, ethyl 2-benzoyl-6,8-dioxo-7-ethyl-2,3,7-triaza-bicyclo[3.3.0]oct-3-ene-4-carboxylate, ethyl 5-ethyl-4,6-dioxo-1-(phenylcarbonyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C17H17N3O5 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 0.435 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.11682 |
| Heavy Atoms | 25 |
| Complexity | 773.7478 |
Chemical Identifiers
| CAS Number | 495388-10-8 |
|---|---|
| SMILES | CCN1C(=O)C2C(C1=O)N(N=C2C(=O)OCC)C(=O)C3=CC=CC=C3 |
Product Overview
AO-081/41192392 (CAS 495388-10-8), with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol. IUPAC: ethyl 1-benzoyl-5-ethyl-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of AO-081/41192392
Property Insights of AO-081/41192392
The XLogP value of 0.435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/41192392. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41192392. Following Lipinski's Rule of Five, AO-081/41192392 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-081/41192392?
The CAS number of AO-081/41192392 is 495388-10-8.
What is the molecular formula of AO-081/41192392?
The molecular formula of AO-081/41192392 is C17H17N3O5.
What is the molecular weight of AO-081/41192392?
The molecular weight of AO-081/41192392 is 343.12 g/mol.
Where can I buy AO-081/41192392?
You can request a quote for AO-081/41192392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41192392?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41192392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.