2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid
TL;DR: 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid (CAS 72766-00-8) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-2,3-dihydrochromen-6-yl)butanoic acid
Also Known As: 3,4-Dihydro-alpha-ethyl-4-oxo-2H-1-benzopyran-6-acetic acid, 2-(4-oxo-2,3-dihydrochromen-6-yl)butanoic acid, 2H-1-Benzopyran-6-acetic acid, 3,4-dihydro-alpha-ethyl-4-oxo-, 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid, RefChem:1061336
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.23 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 464.4873 |
Chemical Identifiers
| CAS Number | 72766-00-8 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)OCCC2=O)C(=O)O |
Product Overview
2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid (CAS 72766-00-8), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 2-(4-oxo-2,3-dihydrochromen-6-yl)butanoic acid.
Chemical Property Profile of 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid
Property Insights of 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid
The XLogP value of 2.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid. Following Lipinski's Rule of Five, 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid has 1 hydrogen bond donor(s) and 3 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-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid?
The CAS number of 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid is 72766-00-8.
What is the molecular formula of 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid?
The molecular formula of 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid is C13H14O4.
What is the molecular weight of 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid?
The molecular weight of 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid is 234.09 g/mol.
Where can I buy 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid?
You can request a quote for 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Oxo-3,4-dihydro-2H-1-benzopyran-6-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.