1,3-Benzodioxole-2-acetic acid, 2-methyl-
TL;DR: 1,3-Benzodioxole-2-acetic acid, 2-methyl- (CAS 4442-72-2) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid
Also Known As: 2-Methyl-1,3-benzodioxole-2-acetic acid, 1,3-BENZODIOXOLE-2-ACETIC ACID, 2-METHYL-, 2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid, 2-(2-Methyl-2H-1,3-benzodioxol-2-yl)acetic acid, (2-methyl-1,3-benzodioxol-2-yl)acetic acid
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 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 | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 4442-72-2 |
|---|---|
| SMILES | CC1(OC2=CC=CC=C2O1)CC(=O)O |
| InChIKey | KBBSSMZKVMEGDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-2-acetic acid, 2-methyl- (CAS 4442-72-2), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid.
Chemical Property Profile of 1,3-Benzodioxole-2-acetic acid, 2-methyl-
Property Insights of 1,3-Benzodioxole-2-acetic acid, 2-methyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-2-acetic acid, 2-methyl-. With a topological polar surface area (TPSA) of 55.8 Ų, 1,3-Benzodioxole-2-acetic acid, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-2-acetic acid, 2-methyl- 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 1,3-Benzodioxole-2-acetic acid, 2-methyl-?
The CAS number of 1,3-Benzodioxole-2-acetic acid, 2-methyl- is 4442-72-2.
What is the molecular formula of 1,3-Benzodioxole-2-acetic acid, 2-methyl-?
The molecular formula of 1,3-Benzodioxole-2-acetic acid, 2-methyl- is C10H10O4.
What is the molecular weight of 1,3-Benzodioxole-2-acetic acid, 2-methyl-?
The molecular weight of 1,3-Benzodioxole-2-acetic acid, 2-methyl- is 194.06 g/mol.
Where can I buy 1,3-Benzodioxole-2-acetic acid, 2-methyl-?
You can request a quote for 1,3-Benzodioxole-2-acetic acid, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-2-acetic acid, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-2-acetic acid, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.