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6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid
TL;DR: 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid (CAS 610258-90-7) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
Also Known As: 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid, BAS 09000032, 6-tert-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 6-(tert-Butyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic acid, Z-2277
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 610258-90-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC(CO2)C(=O)O |
| InChIKey | ZOUUZKCPXBOBDO-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid (CAS 610258-90-7), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 6-tert-butyl-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid.
Chemical Property Profile of 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid
Property Insights of 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid
The XLogP value of 3.1 indicates that 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-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 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid?
The CAS number of 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid is 610258-90-7.
What is the molecular formula of 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid?
The molecular formula of 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid is C13H16O4.
What is the molecular weight of 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid?
The molecular weight of 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid is 236.10 g/mol.
Where can I buy 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid?
You can request a quote for 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.