环己烷甲酸
TL;DR: 环己烷甲酸 (CAS 98-89-5) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己烷甲酸
cyclohexanecarboxylic acid
Also Known As: CYCLOHEXANECARBOXYLIC ACID, Hexahydrobenzoic acid, Carboxycyclohexane, Cyclohexanoic acid, Cyclohexylcarboxylic acid
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| Melting Point | 31 - 32 °C |
| Boiling Point | 232.00 to 233.00 °C. @ 760.00 mm Hg |
| Density | 1.029-1.037 |
| Solubility | 4.6 mg/mL at 25 °C |
| Vapor Pressure | 0.03 [mmHg] |
| Refractive Index | 1.516-1.520 |
Chemical Identifiers
| CAS Number | 98-89-5 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)O |
| InChIKey | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己烷甲酸 (CAS 98-89-5), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: cyclohexanecarboxylic acid.
Chemical Property Profile of 环己烷甲酸
Property Insights of 环己烷甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环己烷甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 环己烷甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 环己烷甲酸?
The CAS number of 环己烷甲酸 is 98-89-5.
What is the molecular formula of 环己烷甲酸?
The molecular formula of 环己烷甲酸 is C7H12O2.
What is the molecular weight of 环己烷甲酸?
The molecular weight of 环己烷甲酸 is 128.08 g/mol.
Where can I buy 环己烷甲酸?
You can request a quote for 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 环己烷甲酸?
Yes, KEHONG BIO provides custom synthesis services for 环己烷甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.