3-环己基-2-丁烯酸
TL;DR: 3-环己基-2-丁烯酸 (CAS 25229-42-9) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-环己基-2-丁烯酸
3-cyclohexylbut-2-enoic acid
Also Known As: Cicrotoic Acid, Accroibile, Acido cicrotoico, Cicrotoinsaeure, Acide cicrotoique
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 25229-42-9 |
|---|---|
| SMILES | CC(=CC(=O)O)C1CCCCC1 |
| InChIKey | WVRIPRILKKOIQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-环己基-2-丁烯酸 (CAS 25229-42-9), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 3-cyclohexylbut-2-enoic acid.
Chemical Property Profile of 3-环己基-2-丁烯酸
Property Insights of 3-环己基-2-丁烯酸
The XLogP value of 3.4 indicates that 3-环己基-2-丁烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-环己基-2-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-环己基-2-丁烯酸 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-环己基-2-丁烯酸?
The CAS number of 3-环己基-2-丁烯酸 is 25229-42-9.
What is the molecular formula of 3-环己基-2-丁烯酸?
The molecular formula of 3-环己基-2-丁烯酸 is C10H16O2.
What is the molecular weight of 3-环己基-2-丁烯酸?
The molecular weight of 3-环己基-2-丁烯酸 is 168.12 g/mol.
Where can I buy 3-环己基-2-丁烯酸?
You can request a quote for 3-环己基-2-丁烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-环己基-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-环己基-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.