Cetalox
TL;DR: Cetalox (CAS 3738-00-9) is a chemical compound with molecular formula C16H28O and molecular weight 236.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
Also Known As: Cetalox, Ambrox, Ambronide, Ambroxane, Ambroxide
| Molecular Formula | C16H28O |
|---|---|
| Molecular Weight | 236.21 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.21402 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
| Melting Point | 75 - 76 °C |
| Boiling Point | 120.00 to 121.00 °C. @ 1.40 mm Hg |
Chemical Identifiers
| CAS Number | 3738-00-9 |
|---|---|
| SMILES | CC1(CCCC2(C1CCC3(C2CCO3)C)C)C |
| InChIKey | YPZUZOLGGMJZJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetalox (CAS 3738-00-9), with molecular formula C16H28O and molecular weight 236.21 g/mol. IUPAC: 3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran.
Chemical Property Profile of Cetalox
Property Insights of Cetalox
The XLogP value of 4.7 indicates that Cetalox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Cetalox exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetalox has 0 hydrogen bond donor(s) and 1 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 Cetalox?
The CAS number of Cetalox is 3738-00-9.
What is the molecular formula of Cetalox?
The molecular formula of Cetalox is C16H28O.
What is the molecular weight of Cetalox?
The molecular weight of Cetalox is 236.21 g/mol.
Where can I buy Cetalox?
You can request a quote for Cetalox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetalox?
Yes, KEHONG BIO provides custom synthesis services for Cetalox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.