AO-081/40997620
TL;DR: AO-081/40997620 (CAS 796877-87-7) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-acetyl-7-(3,5-dimethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: AO-081/40997620, methyl 1-acetyl-7-(3,5-dimethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, 1-Acetyl-7-(3,5-dimethyl-phenyl)-6,8-dioxo-1,2,7-triaza-spiro[4.4]non-2-ene-3-carboxylic acid methyl ester, methyl 4-acetyl-8-(3,5-dimethylphenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate, N/A
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 1.08674 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 855.3276 |
Chemical Identifiers
| CAS Number | 796877-87-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)CC3(C2=O)CC(=NN3C(=O)C)C(=O)OC)C |
Product Overview
AO-081/40997620 (CAS 796877-87-7), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: methyl 1-acetyl-7-(3,5-dimethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of AO-081/40997620
Property Insights of AO-081/40997620
The XLogP value of 1.08674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40997620. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40997620. Following Lipinski's Rule of Five, AO-081/40997620 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-081/40997620?
The CAS number of AO-081/40997620 is 796877-87-7.
What is the molecular formula of AO-081/40997620?
The molecular formula of AO-081/40997620 is C18H19N3O5.
What is the molecular weight of AO-081/40997620?
The molecular weight of AO-081/40997620 is 357.13 g/mol.
Where can I buy AO-081/40997620?
You can request a quote for AO-081/40997620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40997620?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40997620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.