胡莫柳酯
TL;DR: 胡莫柳酯 (CAS 118-56-9) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
胡莫柳酯
(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
Also Known As: Homosalate, Homomenthyl salicylate, Coppertone, Heliophan, Heliopan
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
| Boiling Point | 322 to 165.0 °C at 760 mmHg |
| Density | 1.045 at 25.0 °C |
| Solubility | Insoluble (<1 mg/ml at 79 °F) (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
Chemical Identifiers
| CAS Number | 118-56-9 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O |
| InChIKey | WSSJONWNBBTCMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
胡莫柳酯 (CAS 118-56-9), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate.
Chemical Property Profile of 胡莫柳酯
Property Insights of 胡莫柳酯
The XLogP value of 5.0 indicates that 胡莫柳酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 胡莫柳酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 胡莫柳酯 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 胡莫柳酯?
The CAS number of 胡莫柳酯 is 118-56-9.
What is the molecular formula of 胡莫柳酯?
The molecular formula of 胡莫柳酯 is C16H22O3.
What is the molecular weight of 胡莫柳酯?
The molecular weight of 胡莫柳酯 is 262.16 g/mol.
Where can I buy 胡莫柳酯?
You can request a quote for 胡莫柳酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 胡莫柳酯?
Yes, KEHONG BIO provides custom synthesis services for 胡莫柳酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.