2-Benzylpentanedioic acid
TL;DR: 2-Benzylpentanedioic acid (CAS 36092-45-2) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylpentanedioic acid
Also Known As: 2-benzylpentanedioic acid, 2-benzyl-glutaric acid, 2-Benzyl-pentanedioic acid, 2-Benzyl-pentanedioic acid,97%
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 36092-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CCC(=O)O)C(=O)O |
| InChIKey | GUUZXORJVABSSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylpentanedioic acid (CAS 36092-45-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-benzylpentanedioic acid.
Chemical Property Profile of 2-Benzylpentanedioic acid
Property Insights of 2-Benzylpentanedioic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylpentanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzylpentanedioic acid. Following Lipinski's Rule of Five, 2-Benzylpentanedioic 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 2-Benzylpentanedioic acid?
The CAS number of 2-Benzylpentanedioic acid is 36092-45-2.
What is the molecular formula of 2-Benzylpentanedioic acid?
The molecular formula of 2-Benzylpentanedioic acid is C12H14O4.
What is the molecular weight of 2-Benzylpentanedioic acid?
The molecular weight of 2-Benzylpentanedioic acid is 222.09 g/mol.
Where can I buy 2-Benzylpentanedioic acid?
You can request a quote for 2-Benzylpentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylpentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylpentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.