1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid
TL;DR: 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid (CAS 145918-70-3) is a chemical compound with molecular formula C17H22O3S and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylsulfanylbenzoyl)cyclopentane-1-carboxylic acid
Also Known As: 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid, 3-Thioanisoyl-1,2,2-trimethylcyclopentane-1-carboxylic acid, (1R,3S)-1,2,2-TRIMETHYL-3-[4-(METHYLSULFANYL)BENZOYL]CYCLOPENTANE-1-CARBOXYLIC ACID, Cyclopentanecarboxylic acid, 1,2,2-trimethyl-3-(4-(methylthio)benzoyl)-, (1R-cis)-, (1R,3S)-1,2,2-trimethyl-3-(4-methylsulfanylbenzoyl)cyclopentane-1-carboxylic acid
| Molecular Formula | C17H22O3S |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.12897 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 145918-70-3 |
|---|---|
| SMILES | C[C@]1(CC[C@@H](C1(C)C)C(=O)C2=CC=C(C=C2)SC)C(=O)O |
| InChIKey | XWTSRBQUGSDXQQ-DYVFJYSZSA-N |
Product Overview
1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid (CAS 145918-70-3), with molecular formula C17H22O3S and molecular weight 306.13 g/mol. IUPAC: trans-(1R,3S)-1,2,2-trimethyl-3-(4-methylsulfanylbenzoyl)cyclopentane-1-carboxylic acid.
Chemical Property Profile of 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid
Property Insights of 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid
The XLogP value of 3.7 indicates that 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid. Following Lipinski's Rule of Five, 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid has 1 hydrogen bond donor(s) and 4 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 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid?
The CAS number of 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid is 145918-70-3.
What is the molecular formula of 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid?
The molecular formula of 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid is C17H22O3S.
What is the molecular weight of 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid?
The molecular weight of 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid is 306.13 g/mol.
Where can I buy 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid?
You can request a quote for 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,2-Trimethyl-3-(4-(methylthio)benzoyl)-cyclopentanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.