2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid
TL;DR: 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid (CAS 166445-40-5) is a chemical compound with molecular formula C22H30O2S and molecular weight 358.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid
Also Known As: Salirasib, Farnesylthiosalicylic acid, Farnesyl Thiosalicylic Acid, S-Farnesylthiosalicylic acid, NCI60_030968
| Molecular Formula | C22H30O2S |
|---|---|
| Molecular Weight | 358.20 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 358.19666 |
| Heavy Atoms | 25 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 166445-40-5 |
|---|---|
| SMILES | CC(=CCCC(=CCCC(=CCSC1=CC=CC=C1C(=O)O)C)C)C |
| InChIKey | WUILNKCFCLNXOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid (CAS 166445-40-5), with molecular formula C22H30O2S and molecular weight 358.20 g/mol. IUPAC: 2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid.
Chemical Property Profile of 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid
Property Insights of 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid
The XLogP value of 7.2 indicates that 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid?
The CAS number of 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid is 166445-40-5.
What is the molecular formula of 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid?
The molecular formula of 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid is C22H30O2S.
What is the molecular weight of 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid?
The molecular weight of 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid is 358.20 g/mol.
Where can I buy 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid?
You can request a quote for 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.