Heptenoic acid
TL;DR: Heptenoic acid (CAS 18999-28-5) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hept-2-enoic acid
Also Known As: Heptenoic acid, 2-HEPTENOIC ACID, Hept-2-enoic acid, Heptenoic acids, heptaenoic acid
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08372 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| SMILES | CCCCC=CC(=O)O |
| InChIKey | YURNCBVQZBJDAJ-UHFFFAOYSA-N |
Chemical Property Profile of Heptenoic acid
Property Insights of Heptenoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Heptenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptenoic 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
What is the CAS number of Heptenoic acid?
The CAS number of Heptenoic acid is 18999-28-5.
What is the molecular formula of Heptenoic acid?
The molecular formula of Heptenoic acid is C7H12O2.
What is the molecular weight of Heptenoic acid?
The molecular weight of Heptenoic acid is 128.08372 g/mol.
Where can I buy Heptenoic acid?
You can request a quote for Heptenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Heptenoic acid?
Yes, CoreyChem provides custom synthesis services for Heptenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.