2,3-Dihydro-1,4-benzodioxin-2-acetic acid
TL;DR: 2,3-Dihydro-1,4-benzodioxin-2-acetic acid (CAS 18616-05-2) 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-(2,3-dihydro-1,4-benzodioxin-3-yl)acetic acid
Also Known As: 2-(2,3-dihydro-1,4-benzodioxin-2-yl)acetic acid, 2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)acetic acid, 2,3-Dihydro-1,4-benzodioxin-2-acetic acid, (1,4-benzodioxan-2yl)acetic acid, 1,4-benzodioxan-2-yl-acetic acid
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.2 |
| 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 | 216.0 |
Chemical Identifiers
| CAS Number | 18616-05-2 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CC(=O)O |
| InChIKey | NPEFMXMRSFIHKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-1,4-benzodioxin-2-acetic acid (CAS 18616-05-2), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetic acid.
Chemical Property Profile of 2,3-Dihydro-1,4-benzodioxin-2-acetic acid
Property Insights of 2,3-Dihydro-1,4-benzodioxin-2-acetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1,4-benzodioxin-2-acetic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 2,3-Dihydro-1,4-benzodioxin-2-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1,4-benzodioxin-2-acetic 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 2,3-Dihydro-1,4-benzodioxin-2-acetic acid?
The CAS number of 2,3-Dihydro-1,4-benzodioxin-2-acetic acid is 18616-05-2.
What is the molecular formula of 2,3-Dihydro-1,4-benzodioxin-2-acetic acid?
The molecular formula of 2,3-Dihydro-1,4-benzodioxin-2-acetic acid is C10H10O4.
What is the molecular weight of 2,3-Dihydro-1,4-benzodioxin-2-acetic acid?
The molecular weight of 2,3-Dihydro-1,4-benzodioxin-2-acetic acid is 194.06 g/mol.
Where can I buy 2,3-Dihydro-1,4-benzodioxin-2-acetic acid?
You can request a quote for 2,3-Dihydro-1,4-benzodioxin-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1,4-benzodioxin-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1,4-benzodioxin-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.