3-Benzylpentanedioic acid
TL;DR: 3-Benzylpentanedioic acid (CAS 32386-49-5) 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.
3-benzylpentanedioic acid
Also Known As: 3-benzylpentanedioic Acid, 3-benzylpentanedioicAcid, A-Benzyl-propan-, A-dicarbonsaeure, 860-281-8
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.7947 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 342.54132 |
Chemical Identifiers
| CAS Number | 32386-49-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(=O)O)CC(=O)O |
Product Overview
3-Benzylpentanedioic acid (CAS 32386-49-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 3-benzylpentanedioic acid.
Chemical Property Profile of 3-Benzylpentanedioic acid
Property Insights of 3-Benzylpentanedioic acid
The XLogP value of 1.7947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylpentanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzylpentanedioic acid. Following Lipinski's Rule of Five, 3-Benzylpentanedioic acid has 2 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 3-Benzylpentanedioic acid?
The CAS number of 3-Benzylpentanedioic acid is 32386-49-5.
What is the molecular formula of 3-Benzylpentanedioic acid?
The molecular formula of 3-Benzylpentanedioic acid is C12H14O4.
What is the molecular weight of 3-Benzylpentanedioic acid?
The molecular weight of 3-Benzylpentanedioic acid is 222.09 g/mol.
Where can I buy 3-Benzylpentanedioic acid?
You can request a quote for 3-Benzylpentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylpentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylpentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.