2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester
TL;DR: 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester (CAS 50976-02-8) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tricyclo[5.2.1.02,6]deca-4,8-dienyl prop-2-enoate
Also Known As: Dicyclopentenyl acrylate, Dicyclopentadienyl acrylate, Acrylic acid, dicyclopentadienyl ester, Acrylic acid,dicyclopentadienyl ester, 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester
| Molecular Formula | C13H14O2 |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.09938 |
| Heavy Atoms | 15 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 50976-02-8 |
|---|---|
| SMILES | C=CC(=O)OC1C=CC2C1C3CC2C=C3 |
| InChIKey | VEVJYJYFAXTUGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester (CAS 50976-02-8), with molecular formula C13H14O2 and molecular weight 202.10 g/mol. IUPAC: 3-tricyclo[5.2.1.02,6]deca-4,8-dienyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester
Property Insights of 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester has 0 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 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester?
The CAS number of 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester is 50976-02-8.
What is the molecular formula of 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester?
The molecular formula of 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester is C13H14O2.
What is the molecular weight of 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester?
The molecular weight of 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester is 202.10 g/mol.
Where can I buy 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester?
You can request a quote for 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3a,4,7,7a-tetrahydro-4,7-methano-1H-indenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.