Benzylsuccinic acid
TL;DR: Benzylsuccinic acid (CAS 884-33-3) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylbutanedioic acid
Also Known As: 2-Benzylsuccinic acid, Benzylsuccinic acid, DL-Benzylsuccinic acid, 2-benzylbutanedioic acid, (S)-2-benzylsuccinic acid
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.07356 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 Da |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
| SMILES | C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O |
| InChIKey | GTOFKXZQQDSVFH-UHFFFAOYSA-N |
Product Description
Applications: Benzylsuccinic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Benzylsuccinic acid (CAS 884-33-3) has the molecular formula C11H12O4 and a molecular weight of 208.07 g/mol. Synonyms include 2-Benzylsuccinic acid and Benzylsuccinic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzylsuccinic acid
Property Insights of Benzylsuccinic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylsuccinic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylsuccinic acid. Following Lipinski's Rule of Five, Benzylsuccinic 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 Benzylsuccinic acid?
The CAS number of Benzylsuccinic acid is 884-33-3.
What is the molecular formula of Benzylsuccinic acid?
The molecular formula of Benzylsuccinic acid is C11H12O4.
What is the molecular weight of Benzylsuccinic acid?
The molecular weight of Benzylsuccinic acid is 208.07356 g/mol.
What are the applications of Benzylsuccinic acid?
Benzylsuccinic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Benzylsuccinic acid?
You can request a quote for Benzylsuccinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzylsuccinic acid?
Yes, CoreyChem provides custom synthesis services for Benzylsuccinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.