5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid
TL;DR: 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid (CAS 696627-46-0) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid
Also Known As: ZERO/005228, 5-(1,3-Benzodioxol-5-yl)-2-methyl-3-furoic acid, 5-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid, 5-(2H-1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid, 5-(Benzo[d][1,3]dioxol-5-yl)-2-methylfuran-3-carboxylic acid
| Molecular Formula | C13H10O5 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.68192 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.05283 |
| Heavy Atoms | 18 |
| Complexity | 626.307 |
Chemical Identifiers
| CAS Number | 696627-46-0 |
|---|---|
| SMILES | CC1=C(C=C(O1)C2=CC3=C(C=C2)OCO3)C(=O)O |
Product Overview
5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid (CAS 696627-46-0), with molecular formula C13H10O5 and molecular weight 246.05 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid
Property Insights of 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid
The XLogP value of 2.68192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-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-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid?
The CAS number of 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid is 696627-46-0.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid is C13H10O5.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid is 246.05 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid?
You can request a quote for 5-(1,3-Benzodioxol-5-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-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.