4-异丙基环己烷甲酸
TL;DR: 4-异丙基环己烷甲酸 (CAS 7077-05-6) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-异丙基环己烷甲酸
4-propan-2-ylcyclohexane-1-carboxylic acid
Also Known As: trans-4-Isopropylcyclohexanecarboxylic acid, cis-4-Isopropylcyclohexanecarboxylic acid, 4-Isopropylcyclohexanecarboxylic acid, hexahydrocumic acid, Isopropyl-cyclohexanecarboxylic acid
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 7077-05-6 |
|---|---|
| SMILES | CC(C)C1CCC(CC1)C(=O)O |
| InChIKey | YRQKWRUZZCBSIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-异丙基环己烷甲酸 (CAS 7077-05-6), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 4-propan-2-ylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-异丙基环己烷甲酸
Property Insights of 4-异丙基环己烷甲酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-异丙基环己烷甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-异丙基环己烷甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-异丙基环己烷甲酸 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-异丙基环己烷甲酸?
The CAS number of 4-异丙基环己烷甲酸 is 7077-05-6.
What is the molecular formula of 4-异丙基环己烷甲酸?
The molecular formula of 4-异丙基环己烷甲酸 is C10H18O2.
What is the molecular weight of 4-异丙基环己烷甲酸?
The molecular weight of 4-异丙基环己烷甲酸 is 170.13 g/mol.
Where can I buy 4-异丙基环己烷甲酸?
You can request a quote for 4-异丙基环己烷甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-异丙基环己烷甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-异丙基环己烷甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.