(6-Bromo-1,3-benzodioxol-5-yl)acetic acid
TL;DR: (6-Bromo-1,3-benzodioxol-5-yl)acetic acid (CAS 7391-28-8) 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.
2-(6-bromo-1,3-benzodioxol-5-yl)acetic acid
Also Known As: (6-bromo-1,3-benzodioxol-5-yl)acetic acid, 6-Brom-homopiperonylsaeure, 4-Methylbenzoylacetonitrile, 2-(6-bromo-1,3-benzodioxol-5-yl)acetic acid, 2-(6-bromobenzo[d][1,3]dioxol-5-yl)acetic acid
| Molecular Formula | C9H7BrO4 |
|---|---|
| Molecular Weight | 257.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.95276 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 7391-28-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CC(=O)O)Br |
| InChIKey | OEKSRUJGTGXBMM-UHFFFAOYSA-N |
Product Overview
(6-Bromo-1,3-benzodioxol-5-yl)acetic acid (CAS 7391-28-8), with molecular formula C9H7BrO4 and molecular weight 257.95 g/mol. IUPAC: 2-(6-bromo-1,3-benzodioxol-5-yl)acetic acid.
Chemical Property Profile of (6-Bromo-1,3-benzodioxol-5-yl)acetic acid
Property Insights of (6-Bromo-1,3-benzodioxol-5-yl)acetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Bromo-1,3-benzodioxol-5-yl)acetic acid. With a topological polar surface area (TPSA) of 55.8 Ų, (6-Bromo-1,3-benzodioxol-5-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Bromo-1,3-benzodioxol-5-yl)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 (6-Bromo-1,3-benzodioxol-5-yl)acetic acid?
The CAS number of (6-Bromo-1,3-benzodioxol-5-yl)acetic acid is 7391-28-8.
What is the molecular formula of (6-Bromo-1,3-benzodioxol-5-yl)acetic acid?
The molecular formula of (6-Bromo-1,3-benzodioxol-5-yl)acetic acid is C9H7BrO4.
What is the molecular weight of (6-Bromo-1,3-benzodioxol-5-yl)acetic acid?
The molecular weight of (6-Bromo-1,3-benzodioxol-5-yl)acetic acid is 257.95 g/mol.
Where can I buy (6-Bromo-1,3-benzodioxol-5-yl)acetic acid?
You can request a quote for (6-Bromo-1,3-benzodioxol-5-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 (6-Bromo-1,3-benzodioxol-5-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-Bromo-1,3-benzodioxol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.