2-苄基丁二酸
TL;DR: 2-苄基丁二酸 (CAS 884-33-3) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苄基丁二酸
2-benzylbutanedioic acid
Also Known As: 2-Benzylsuccinic acid, Benzylsuccinic acid, DL-Benzylsuccinic acid, 2-benzylbutanedioic acid, (S)-2-benzylsuccinic acid
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 884-33-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O |
| InChIKey | GTOFKXZQQDSVFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苄基丁二酸 (CAS 884-33-3), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 2-benzylbutanedioic acid.
Chemical Property Profile of 2-苄基丁二酸
Property Insights of 2-苄基丁二酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苄基丁二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-苄基丁二酸. 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
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 208.07 g/mol.
Where can I buy Benzylsuccinic acid?
You can request a quote for Benzylsuccinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylsuccinic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzylsuccinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.