AO-081/40997388
TL;DR: AO-081/40997388 (CAS 499110-91-7) is a chemical compound with molecular formula C17H16IN3O5 and molecular weight 469.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-acetyl-7-(4-iodophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: AO-081/40997388, ethyl 1-acetyl-7-(4-iodophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, ethyl 4-acetyl-8-(4-iodophenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C17H16IN3O5 |
|---|---|
| Molecular Weight | 469.01 g/mol |
| LogP | 1.4646 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.01346 |
| Heavy Atoms | 26 |
| Complexity | 835.30505 |
Chemical Identifiers
| CAS Number | 499110-91-7 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC=C(C=C3)I)C(=O)C |
Product Overview
AO-081/40997388 (CAS 499110-91-7), with molecular formula C17H16IN3O5 and molecular weight 469.01 g/mol. IUPAC: ethyl 1-acetyl-7-(4-iodophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of AO-081/40997388
Property Insights of AO-081/40997388
The XLogP value of 1.4646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/40997388. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40997388. Following Lipinski's Rule of Five, AO-081/40997388 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-081/40997388?
The CAS number of AO-081/40997388 is 499110-91-7.
What is the molecular formula of AO-081/40997388?
The molecular formula of AO-081/40997388 is C17H16IN3O5.
What is the molecular weight of AO-081/40997388?
The molecular weight of AO-081/40997388 is 469.01 g/mol.
Where can I buy AO-081/40997388?
You can request a quote for AO-081/40997388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40997388?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40997388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.