1-环己烯-1-甲酸乙酯
TL;DR: 1-环己烯-1-甲酸乙酯 (CAS 1617-22-7) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-环己烯-1-甲酸乙酯
ethyl cyclohexene-1-carboxylate
Also Known As: Ethyl cyclohexenecarboxylate, ethyl cyclohex-1-ene-1-carboxylate, ethyl cyclohexene-1-carboxylate, 1-Cyclohexene-1-carboxylic acid, ethyl ester, ethyl cyclohex-1-enecarboxylate
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 1617-22-7 |
|---|---|
| SMILES | CCOC(=O)C1=CCCCC1 |
| InChIKey | HDKVSEUEUWKMFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-环己烯-1-甲酸乙酯 (CAS 1617-22-7), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: ethyl cyclohexene-1-carboxylate.
Chemical Property Profile of 1-环己烯-1-甲酸乙酯
Property Insights of 1-环己烯-1-甲酸乙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-环己烯-1-甲酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 1-环己烯-1-甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-环己烯-1-甲酸乙酯 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 1-环己烯-1-甲酸乙酯?
The CAS number of 1-环己烯-1-甲酸乙酯 is 1617-22-7.
What is the molecular formula of 1-环己烯-1-甲酸乙酯?
The molecular formula of 1-环己烯-1-甲酸乙酯 is C9H14O2.
What is the molecular weight of 1-环己烯-1-甲酸乙酯?
The molecular weight of 1-环己烯-1-甲酸乙酯 is 154.10 g/mol.
Where can I buy 1-环己烯-1-甲酸乙酯?
You can request a quote for 1-环己烯-1-甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-环己烯-1-甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 1-环己烯-1-甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.