4-Hydroxycyclohexyl benzoate
TL;DR: 4-Hydroxycyclohexyl benzoate (CAS 6972-20-9) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxycyclohexyl) benzoate
Also Known As: 4-hydroxycyclohexyl benzoate, trans-(4-hydroxycyclohexyl) benzoate, (4-hydroxycyclohexyl) benzoate, 4-BENZOYLOXYCYCLOHEXANOL, starbld0049441
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 6972-20-9 |
|---|---|
| SMILES | C1CC(CCC1O)OC(=O)C2=CC=CC=C2 |
| InChIKey | LNXMWBSIGLFCEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxycyclohexyl benzoate (CAS 6972-20-9), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: (4-hydroxycyclohexyl) benzoate.
Chemical Property Profile of 4-Hydroxycyclohexyl benzoate
Property Insights of 4-Hydroxycyclohexyl benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxycyclohexyl benzoate. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Hydroxycyclohexyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxycyclohexyl benzoate has 1 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 4-Hydroxycyclohexyl benzoate?
The CAS number of 4-Hydroxycyclohexyl benzoate is 6972-20-9.
What is the molecular formula of 4-Hydroxycyclohexyl benzoate?
The molecular formula of 4-Hydroxycyclohexyl benzoate is C13H16O3.
What is the molecular weight of 4-Hydroxycyclohexyl benzoate?
The molecular weight of 4-Hydroxycyclohexyl benzoate is 220.11 g/mol.
Where can I buy 4-Hydroxycyclohexyl benzoate?
You can request a quote for 4-Hydroxycyclohexyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxycyclohexyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxycyclohexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.