4-异丙基-3-环己烯-1-甲酸
TL;DR: 4-异丙基-3-环己烯-1-甲酸 (CAS 71298-42-5) 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.
4-异丙基-3-环己烯-1-甲酸
4-propan-2-ylcyclohex-3-ene-1-carboxylic acid
Also Known As: 1,2,5,6-Tetrahydrocuminic acid, FEMA No. 3731, p-menth-3-en-7-oic acid, p-Menth-3-ene-7-oic acid, 1,2,5,6-Tetrahydrocumic acid
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.9 |
| 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 | 204.0 |
| Solubility | Slightly soluble in water (0.01%); soluble in fats (10% in vegetable oil) |
Chemical Identifiers
| CAS Number | 71298-42-5 |
|---|---|
| SMILES | CC(C)C1=CCC(CC1)C(=O)O |
| InChIKey | SVVRHSSIDPLFOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-异丙基-3-环己烯-1-甲酸 (CAS 71298-42-5), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 4-propan-2-ylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 4-异丙基-3-环己烯-1-甲酸
Property Insights of 4-异丙基-3-环己烯-1-甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-异丙基-3-环己烯-1-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-异丙基-3-环己烯-1-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-异丙基-3-环己烯-1-甲酸 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 4-异丙基-3-环己烯-1-甲酸?
The CAS number of 4-异丙基-3-环己烯-1-甲酸 is 71298-42-5.
What is the molecular formula of 4-异丙基-3-环己烯-1-甲酸?
The molecular formula of 4-异丙基-3-环己烯-1-甲酸 is C10H16O2.
What is the molecular weight of 4-异丙基-3-环己烯-1-甲酸?
The molecular weight of 4-异丙基-3-环己烯-1-甲酸 is 168.12 g/mol.
Where can I buy 4-异丙基-3-环己烯-1-甲酸?
You can request a quote for 4-异丙基-3-环己烯-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-异丙基-3-环己烯-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-异丙基-3-环己烯-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.