5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid
TL;DR: 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid (CAS 696649-78-2) is a chemical compound with molecular formula C14H12O5 and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid
Also Known As: ZERO/005132, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furoic acid, AH-487/42642683, 5-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-methylfuran-3-carboxylic acid
| Molecular Formula | C14H12O5 |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.72442 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.06848 |
| Heavy Atoms | 19 |
| Complexity | 641.281 |
Chemical Identifiers
| CAS Number | 696649-78-2 |
|---|---|
| SMILES | CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)O |
Product Overview
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid (CAS 696649-78-2), with molecular formula C14H12O5 and molecular weight 260.07 g/mol. IUPAC: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid.
Chemical Property Profile of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid
Property Insights of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid
The XLogP value of 2.72442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid has 1 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 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid?
The CAS number of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid is 696649-78-2.
What is the molecular formula of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid?
The molecular formula of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid is C14H12O5.
What is the molecular weight of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid?
The molecular weight of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid is 260.07 g/mol.
Where can I buy 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid?
You can request a quote for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.