AGN 193109
TL;DR: AGN 193109 (CAS 85-51-8) is a chemical compound with molecular formula C28H24O2 and molecular weight 392.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid
Also Known As: AGN 193109 Sodium Salt, AGN 193109 (GMP), 171746-21-7 free base, 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid, SID:53789893
| Molecular Formula | C28H24O2 |
|---|---|
| Molecular Weight | 392.18 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.17764 |
| Heavy Atoms | 30 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 85-51-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C |
| InChIKey | NCEQLLNVRRTCKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AGN 193109 (CAS 85-51-8), with molecular formula C28H24O2 and molecular weight 392.18 g/mol. IUPAC: 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid.
Chemical Property Profile of AGN 193109
Property Insights of AGN 193109
The XLogP value of 7.0 indicates that AGN 193109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, AGN 193109 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AGN 193109 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AGN 193109?
The CAS number of AGN 193109 is 85-51-8.
What is the molecular formula of AGN 193109?
The molecular formula of AGN 193109 is C28H24O2.
What is the molecular weight of AGN 193109?
The molecular weight of AGN 193109 is 392.18 g/mol.
Where can I buy AGN 193109?
You can request a quote for AGN 193109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AGN 193109?
Yes, KEHONG BIO provides custom synthesis services for AGN 193109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.