4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)
TL;DR: 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) (CAS 82801-37-4) is a chemical compound with molecular formula C17H22O4 and molecular weight 290.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1S,3R)-3-(4-methoxybenzoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Also Known As: PATC, 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid), para-Anisoyl-3-(1,2,2-trimethyl-cyclopentane carboxylic acid), (1S,3R)-3-(4-methoxybenzoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid, 3-(4-METHOXYBENZOYL)-1,2,2-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID
| Molecular Formula | C17H22O4 |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.1518 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 82801-37-4 |
|---|---|
| SMILES | C[C@@]1(CC[C@H](C1(C)C)C(=O)C2=CC=C(C=C2)OC)C(=O)O |
| InChIKey | JZMUCLZEZUFWDA-SUMWQHHRSA-N |
Product Overview
4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) (CAS 82801-37-4), with molecular formula C17H22O4 and molecular weight 290.15 g/mol. IUPAC: trans-(1S,3R)-3-(4-methoxybenzoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid.
Chemical Property Profile of 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)
Property Insights of 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)
The XLogP value of 3.1 indicates that 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid). Following Lipinski's Rule of Five, 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic 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 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)?
The CAS number of 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) is 82801-37-4.
What is the molecular formula of 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)?
The molecular formula of 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) is C17H22O4.
What is the molecular weight of 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)?
The molecular weight of 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) is 290.15 g/mol.
Where can I buy 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)?
You can request a quote for 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.