4-(Cyclopropylcarbonyl)benzeneacetic acid
TL;DR: 4-(Cyclopropylcarbonyl)benzeneacetic acid (CAS 4075-25-6) 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.
2-[4-(cyclopropanecarbonyl)phenyl]acetic acid
Also Known As: 2-(4-(Cyclopropanecarbonyl)phenyl)acetic acid, SQ 20650, 4-(Cyclopropylcarbonyl)benzeneacetic acid, [4-(cyclopropylcarbonyl)phenyl]acetic acid, 2-[4-(cyclopropanecarbonyl)phenyl]acetic acid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 4075-25-6 |
|---|---|
| SMILES | C1CC1C(=O)C2=CC=C(C=C2)CC(=O)O |
| InChIKey | XPPGZJCRWVAUBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Cyclopropylcarbonyl)benzeneacetic acid (CAS 4075-25-6), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 2-[4-(cyclopropanecarbonyl)phenyl]acetic acid.
Chemical Property Profile of 4-(Cyclopropylcarbonyl)benzeneacetic acid
Property Insights of 4-(Cyclopropylcarbonyl)benzeneacetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Cyclopropylcarbonyl)benzeneacetic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(Cyclopropylcarbonyl)benzeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Cyclopropylcarbonyl)benzeneacetic 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 4-(Cyclopropylcarbonyl)benzeneacetic acid?
The CAS number of 4-(Cyclopropylcarbonyl)benzeneacetic acid is 4075-25-6.
What is the molecular formula of 4-(Cyclopropylcarbonyl)benzeneacetic acid?
The molecular formula of 4-(Cyclopropylcarbonyl)benzeneacetic acid is C12H12O3.
What is the molecular weight of 4-(Cyclopropylcarbonyl)benzeneacetic acid?
The molecular weight of 4-(Cyclopropylcarbonyl)benzeneacetic acid is 204.08 g/mol.
Where can I buy 4-(Cyclopropylcarbonyl)benzeneacetic acid?
You can request a quote for 4-(Cyclopropylcarbonyl)benzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Cyclopropylcarbonyl)benzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Cyclopropylcarbonyl)benzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.