2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid
TL;DR: 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid (CAS 7477-52-3) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
Also Known As: 2-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid, 2-(1,3-benzodioxol-5-yl)cyclopropanecarboxylic acid, 2-(1,3-dioxaindan-5-yl)cyclopropane-1-carboxylic acid, 2-(Benzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid, 2-benzo[1,3]dioxol-5-ylcyclopropane-1-carboxylic acid
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 7477-52-3 |
|---|---|
| SMILES | C1C(C1C(=O)O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | SEACYFQFBLSTIZ-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid (CAS 7477-52-3), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid
Property Insights of 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-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 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
The CAS number of 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid is 7477-52-3.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid is C11H10O4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid is 206.06 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)cyclopropane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.