![3-Benzo[1,3]dioxol-5-yl-benzoic acid structure](/static/products/1185/1185303-09-6.webp)
3-Benzo[1,3]dioxol-5-yl-benzoic acid
TL;DR: 3-Benzo[1,3]dioxol-5-yl-benzoic acid (CAS 1185303-09-6) is a chemical compound with molecular formula C14H10O4 and molecular weight 242.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)benzoic acid
Also Known As: 3-Benzo[1,3]dioxol-5-yl-benzoic acid, 3-(1,3-benzodioxol-5-yl)benzoic acid, 3-Biphenyl-[1,3]dioxol-5-yl-carboxylic acid, 3-(benzo[d][1,3]dioxol-5-yl)benzoic acid, 3-(3,4-Methylenedioxyphenyl)benzoic acid
Technical Specifications
| Molecular Formula | C14H10O4 |
| Molecular Weight | 242.0579 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.0579 Da |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC(=CC=C3)C(=O)O |
| InChIKey | KMYXCUZMLVHANR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzo[1,3]dioxol-5-yl-benzoic acid
Property Insights of 3-Benzo[1,3]dioxol-5-yl-benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzo[1,3]dioxol-5-yl-benzoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3-Benzo[1,3]dioxol-5-yl-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzo[1,3]dioxol-5-yl-benzoic 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
What is the CAS number of 3-Benzo[1,3]dioxol-5-yl-benzoic acid?
The CAS number of 3-Benzo[1,3]dioxol-5-yl-benzoic acid is 1185303-09-6.
What is the molecular formula of 3-Benzo[1,3]dioxol-5-yl-benzoic acid?
The molecular formula of 3-Benzo[1,3]dioxol-5-yl-benzoic acid is C14H10O4.
What is the molecular weight of 3-Benzo[1,3]dioxol-5-yl-benzoic acid?
The molecular weight of 3-Benzo[1,3]dioxol-5-yl-benzoic acid is 242.0579 g/mol.
Where can I buy 3-Benzo[1,3]dioxol-5-yl-benzoic acid?
You can request a quote for 3-Benzo[1,3]dioxol-5-yl-benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzo[1,3]dioxol-5-yl-benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Benzo[1,3]dioxol-5-yl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.