3-Oxo-1-phenylcyclopentanecarboxylic acid
TL;DR: 3-Oxo-1-phenylcyclopentanecarboxylic acid (CAS 84409-29-0) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-1-phenylcyclopentane-1-carboxylic acid
Also Known As: TimTec1_007337, 3-oxo-1-phenylcyclopentanecarboxylic acid, 3-Oxo-1-phenyl-cyclopentanecarboxylic acid, 3-oxo-1-phenylcyclopentane-1-carboxylic acid, BAS 00690045
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 84409-29-0 |
|---|---|
| SMILES | C1CC(CC1=O)(C2=CC=CC=C2)C(=O)O |
| InChIKey | GZFDVSDSPLDDJS-UHFFFAOYSA-N |
Product Overview
3-Oxo-1-phenylcyclopentanecarboxylic acid (CAS 84409-29-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 3-oxo-1-phenylcyclopentane-1-carboxylic acid.
Chemical Property Profile of 3-Oxo-1-phenylcyclopentanecarboxylic acid
Property Insights of 3-Oxo-1-phenylcyclopentanecarboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-1-phenylcyclopentanecarboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Oxo-1-phenylcyclopentanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-1-phenylcyclopentanecarboxylic acid has 1 hydrogen bond donor(s) and 3 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 3-Oxo-1-phenylcyclopentanecarboxylic acid?
The CAS number of 3-Oxo-1-phenylcyclopentanecarboxylic acid is 84409-29-0.
What is the molecular formula of 3-Oxo-1-phenylcyclopentanecarboxylic acid?
The molecular formula of 3-Oxo-1-phenylcyclopentanecarboxylic acid is C12H12O3.
What is the molecular weight of 3-Oxo-1-phenylcyclopentanecarboxylic acid?
The molecular weight of 3-Oxo-1-phenylcyclopentanecarboxylic acid is 204.08 g/mol.
Where can I buy 3-Oxo-1-phenylcyclopentanecarboxylic acid?
You can request a quote for 3-Oxo-1-phenylcyclopentanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-1-phenylcyclopentanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-1-phenylcyclopentanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.