2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
TL;DR: 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (CAS 98947-00-3) is a chemical compound with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
Also Known As: (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid, 2-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid, 1,4-Benzodioxin-6-aceticacid, 7-bromo-2,3-dihydro-, 2-HYDROXY-3-METHOXYCHALCONE, 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
| Molecular Formula | C10H9BrO4 |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 1.8474 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.9684 |
| Heavy Atoms | 15 |
| Complexity | 402.65402 |
Chemical Identifiers
| CAS Number | 98947-00-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)Br)CC(=O)O |
Product Overview
2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (CAS 98947-00-3), with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol. IUPAC: 2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid.
Chemical Property Profile of 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
Property Insights of 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
The XLogP value of 1.8474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic 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 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The CAS number of 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is 98947-00-3.
What is the molecular formula of 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The molecular formula of 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is C10H9BrO4.
What is the molecular weight of 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The molecular weight of 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is 271.97 g/mol.
Where can I buy 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
You can request a quote for 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)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-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.