![2-[(3-Chlorophenyl)methyl]butanedioic acid structure](/static/products/103/103860-98-6.webp)
2-[(3-Chlorophenyl)methyl]butanedioic acid
TL;DR: 2-[(3-Chlorophenyl)methyl]butanedioic acid (CAS 103860-98-6) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-chlorophenyl)methyl]butanedioic acid
Also Known As: (3-chloro-benzyl)-succinic acid, 2-(3-chlorobenzyl)butanedioic acid, 2-[(3-chlorophenyl)methyl]butanedioic acid
Technical Specifications
| Molecular Formula | C11H11ClO4 |
| Molecular Weight | 242.03459 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.03459 Da |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
| SMILES | C1=CC(=CC(=C1)Cl)CC(CC(=O)O)C(=O)O |
| InChIKey | NFIXDKJFJYQOIH-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3-Chlorophenyl)methyl]butanedioic acid
Property Insights of 2-[(3-Chlorophenyl)methyl]butanedioic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Chlorophenyl)methyl]butanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Chlorophenyl)methyl]butanedioic acid. Following Lipinski's Rule of Five, 2-[(3-Chlorophenyl)methyl]butanedioic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(3-Chlorophenyl)methyl]butanedioic acid?
The CAS number of 2-[(3-Chlorophenyl)methyl]butanedioic acid is 103860-98-6.
What is the molecular formula of 2-[(3-Chlorophenyl)methyl]butanedioic acid?
The molecular formula of 2-[(3-Chlorophenyl)methyl]butanedioic acid is C11H11ClO4.
What is the molecular weight of 2-[(3-Chlorophenyl)methyl]butanedioic acid?
The molecular weight of 2-[(3-Chlorophenyl)methyl]butanedioic acid is 242.03459 g/mol.
Where can I buy 2-[(3-Chlorophenyl)methyl]butanedioic acid?
You can request a quote for 2-[(3-Chlorophenyl)methyl]butanedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3-Chlorophenyl)methyl]butanedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(3-Chlorophenyl)methyl]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.