3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid
TL;DR: 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid (CAS 25236-64-0) is a chemical compound with molecular formula C10H6F2O4 and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid
Also Known As: Peakdale1_000219, 2,2,2-Trifluoroethyl methanesulfonate, 3-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acrylic acid, 3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid, 3-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-acrylic acid
| Molecular Formula | C10H6F2O4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.1059 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.02342 |
| Heavy Atoms | 16 |
| Complexity | 467.88687 |
Chemical Identifiers
| CAS Number | 25236-64-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1C=CC(=O)O)OC(O2)(F)F |
Product Overview
3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid (CAS 25236-64-0), with molecular formula C10H6F2O4 and molecular weight 228.02 g/mol. IUPAC: 3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid
Property Insights of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid
The XLogP value of 2.1059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic 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 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The CAS number of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid is 25236-64-0.
What is the molecular formula of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The molecular formula of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid is C10H6F2O4.
What is the molecular weight of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The molecular weight of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid is 228.02 g/mol.
Where can I buy 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
You can request a quote for 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.