7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
TL;DR: 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (CAS 16081-71-3) is a chemical compound with molecular formula C9H7BrO4 and molecular weight 257.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Also Known As: 7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, 7-Bromo-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylic acid, 7-bromo-1,4-benzodioxan-5-carboxylic acid, 7-Bromo-2,3-dihydro-benzo[1,4]dioxine-5-carboxylic acid, 7-Bromo-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylicacid
| Molecular Formula | C9H7BrO4 |
|---|---|
| Molecular Weight | 257.95 g/mol |
| LogP | 1.9185 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.95276 |
| Heavy Atoms | 14 |
| Complexity | 388.6435 |
Chemical Identifiers
| CAS Number | 16081-71-3 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2O1)Br)C(=O)O |
Product Overview
7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (CAS 16081-71-3), with molecular formula C9H7BrO4 and molecular weight 257.95 g/mol. IUPAC: 7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid.
Chemical Property Profile of 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Property Insights of 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
The XLogP value of 1.9185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid?
The CAS number of 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid is 16081-71-3.
What is the molecular formula of 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid?
The molecular formula of 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid is C9H7BrO4.
What is the molecular weight of 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid?
The molecular weight of 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid is 257.95 g/mol.
Where can I buy 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid?
You can request a quote for 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.