3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid
TL;DR: 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid (CAS 199679-36-2) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
Also Known As: 5-Indanacrylic acid, Bionet2_001638, 3-(2,3-dihydro-1h-inden-5-yl)prop-2-enoic acid, 3-(2,3-Dihydro-1H-inden-5-yl)-propenoic acid, (E)-3-(2,3-dihydro-1H-inden-5-yl)-2-propenoic acid
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 199679-36-2 |
|---|---|
| SMILES | C1CC2=C(C1)C=C(C=C2)C=CC(=O)O |
| InChIKey | ZWQQSSDIRQRRNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid (CAS 199679-36-2), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid
Property Insights of 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid?
The CAS number of 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid is 199679-36-2.
What is the molecular formula of 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid?
The molecular formula of 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid is C12H12O2.
What is the molecular weight of 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid?
The molecular weight of 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid is 188.08 g/mol.
Where can I buy 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid?
You can request a quote for 3-(2,3-Dihydro-1h-inden-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-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-Dihydro-1h-inden-5-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.