2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid
TL;DR: 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid (CAS 854236-44-5) is a chemical compound with molecular formula C15H12O5 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5-methoxybenzoic acid
Also Known As: 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid, 5-Methoxy-2-(3,4-methylenedioxyphenyl)benzoic acid, 2-(1,3-benzodioxol-5-yl)-5-methoxy-benzoic acid, 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid #, 4-Methoxy-4',5'-methylenedioxybiphenyl-2-carboxylic acid
| Molecular Formula | C15H12O5 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06848 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 854236-44-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2=CC3=C(C=C2)OCO3)C(=O)O |
| InChIKey | MTULXGJAOHDPSD-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid (CAS 854236-44-5), with molecular formula C15H12O5 and molecular weight 272.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-methoxybenzoic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid
Property Insights of 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid has 1 hydrogen bond donor(s) and 5 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)-5-methoxybenzoic acid?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid is 854236-44-5.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid is C15H12O5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid is 272.07 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic 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)-5-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-5-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.