AO-710/14811017
TL;DR: AO-710/14811017 (CAS 497058-43-2) is a chemical compound with molecular formula C25H22O4S3 and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-(2-phenylethylsulfanyl)-1,3-dithiole-4-carboxylate
Also Known As: AO-710/14811017, methyl 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-[(2-phenylethyl)sulfanyl]-1,3-dithiole-4-carboxylate, methyl 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-phenethylsulfanyl-1,3-dithiole-4-carboxylate, methyl 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-(2-phenylethylsulfanyl)-1,3-dithiole-4-carboxylate
| Molecular Formula | C25H22O4S3 |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 5.7118 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.06802 |
| Heavy Atoms | 32 |
| Complexity | 1070.6848 |
Chemical Identifiers
| CAS Number | 497058-43-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C2C(=O)CC(CC2=O)C3=CC=CC=C3)S1)SCCC4=CC=CC=C4 |
Product Overview
AO-710/14811017 (CAS 497058-43-2), with molecular formula C25H22O4S3 and molecular weight 482.07 g/mol. IUPAC: methyl 2-(2,6-dioxo-4-phenylcyclohexylidene)-5-(2-phenylethylsulfanyl)-1,3-dithiole-4-carboxylate.
Chemical Property Profile of AO-710/14811017
Property Insights of AO-710/14811017
The XLogP value of 5.7118 indicates that AO-710/14811017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-710/14811017. Following Lipinski's Rule of Five, AO-710/14811017 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-710/14811017?
The CAS number of AO-710/14811017 is 497058-43-2.
What is the molecular formula of AO-710/14811017?
The molecular formula of AO-710/14811017 is C25H22O4S3.
What is the molecular weight of AO-710/14811017?
The molecular weight of AO-710/14811017 is 482.07 g/mol.
Where can I buy AO-710/14811017?
You can request a quote for AO-710/14811017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-710/14811017?
Yes, KEHONG BIO provides custom synthesis services for AO-710/14811017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.