4-(2-Chloropropionyl)phenylacetic acid
TL;DR: 4-(2-Chloropropionyl)phenylacetic acid (CAS 84098-73-7) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-chloropropanoyl)phenyl]acetic acid
Also Known As: 4-(2-Chloropropionyl)phenylacetic acid, diallylcarbonate, 2-[4-(2-chloropropanoyl)phenyl]acetic Acid, TIMTEC-BB SBB003311, 4-(2-chloropropanyl)phenylacetic acid
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 2.1237 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 367.92435 |
Chemical Identifiers
| CAS Number | 84098-73-7 |
|---|---|
| SMILES | CC(C(=O)C1=CC=C(C=C1)CC(=O)O)Cl |
Product Overview
4-(2-Chloropropionyl)phenylacetic acid (CAS 84098-73-7), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: 2-[4-(2-chloropropanoyl)phenyl]acetic acid.
Chemical Property Profile of 4-(2-Chloropropionyl)phenylacetic acid
Property Insights of 4-(2-Chloropropionyl)phenylacetic acid
The XLogP value of 2.1237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloropropionyl)phenylacetic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(2-Chloropropionyl)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloropropionyl)phenylacetic acid has 1 hydrogen bond donor(s) and 2 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-(2-Chloropropionyl)phenylacetic acid?
The CAS number of 4-(2-Chloropropionyl)phenylacetic acid is 84098-73-7.
What is the molecular formula of 4-(2-Chloropropionyl)phenylacetic acid?
The molecular formula of 4-(2-Chloropropionyl)phenylacetic acid is C11H11ClO3.
What is the molecular weight of 4-(2-Chloropropionyl)phenylacetic acid?
The molecular weight of 4-(2-Chloropropionyl)phenylacetic acid is 226.04 g/mol.
Where can I buy 4-(2-Chloropropionyl)phenylacetic acid?
You can request a quote for 4-(2-Chloropropionyl)phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloropropionyl)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloropropionyl)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.