AO-080/41680843
TL;DR: AO-080/41680843 (CAS 524032-83-5) is a chemical compound with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-acetyl-8-methyl-4-(4-methylphenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2-carboxylate
Also Known As: AO-080/41680843, ethyl 7-acetyl-8-methyl-1-(4-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate, A3209/0136079, 7-acetyl-8-methyl-1-(4-methylphenyl)-9-phenyl-3-ethoxycarbonyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene, 7-Acetyl-8-methyl-9-phenyl-1-p-tolyl-4,6-dithia-1,2,9-triaza-spiro[4.4]nona-2,7-diene-3-carboxylic acid ethyl ester
| Molecular Formula | C23H23N3O3S2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 5.11002 |
| Topological Polar Surface Area | 62.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.11807 |
| Heavy Atoms | 31 |
| Complexity | 1083.0054 |
Chemical Identifiers
| CAS Number | 524032-83-5 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2(S1)N(C(=C(S2)C(=O)C)C)C3=CC=CC=C3)C4=CC=C(C=C4)C |
Product Overview
AO-080/41680843 (CAS 524032-83-5), with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol. IUPAC: ethyl 7-acetyl-8-methyl-4-(4-methylphenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2-carboxylate.
Chemical Property Profile of AO-080/41680843
Property Insights of AO-080/41680843
The XLogP value of 5.11002 indicates that AO-080/41680843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41680843. Following Lipinski's Rule of Five, AO-080/41680843 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-080/41680843?
The CAS number of AO-080/41680843 is 524032-83-5.
What is the molecular formula of AO-080/41680843?
The molecular formula of AO-080/41680843 is C23H23N3O3S2.
What is the molecular weight of AO-080/41680843?
The molecular weight of AO-080/41680843 is 453.12 g/mol.
Where can I buy AO-080/41680843?
You can request a quote for AO-080/41680843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41680843?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41680843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.