环丁酸醇
TL;DR: 环丁酸醇 (CAS 512-16-3) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环丁酸醇
2-(1-hydroxycyclohexyl)butanoic acid
Also Known As: Cyclobutyrol, Ciclobutirol, Cyclobutyrolum, Hebucol, cyclobutyral
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 512-16-3 |
|---|---|
| SMILES | CCC(C(=O)O)C1(CCCCC1)O |
| InChIKey | NIVFTEMPSCMWDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环丁酸醇 (CAS 512-16-3), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: 2-(1-hydroxycyclohexyl)butanoic acid.
Chemical Property Profile of 环丁酸醇
Property Insights of 环丁酸醇
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环丁酸醇. With a topological polar surface area (TPSA) of 57.5 Ų, 环丁酸醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环丁酸醇 has 2 hydrogen bond donor(s) and 3 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 环丁酸醇?
The CAS number of 环丁酸醇 is 512-16-3.
What is the molecular formula of 环丁酸醇?
The molecular formula of 环丁酸醇 is C10H18O3.
What is the molecular weight of 环丁酸醇?
The molecular weight of 环丁酸醇 is 186.13 g/mol.
Where can I buy 环丁酸醇?
You can request a quote for 环丁酸醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环丁酸醇?
Yes, KEHONG BIO provides custom synthesis services for 环丁酸醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.