炔螨特
TL;DR: 炔螨特 (CAS 2312-35-8) is a chemical compound with molecular formula C19H26O4S and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
炔螨特
[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite
Also Known As: propargite, Comite, OMITE, Cyclosulfyne, Omait
| Molecular Formula | C19H26O4S |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.15518 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
| Boiling Point | Decomposes. |
| Density | 1.085 to 1.115 at 20.0 °C |
| Solubility | Fully miscible with hexane, toluene, dichloromethane, methanol and acetone |
| Flash Point | 27.8 °C |
| Vapor Pressure | 0.00000004 [mmHg] |
Chemical Identifiers
| CAS Number | 2312-35-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C |
| InChIKey | ZYHMJXZULPZUED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
炔螨特 (CAS 2312-35-8), with molecular formula C19H26O4S and molecular weight 350.16 g/mol. IUPAC: [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite.
Chemical Property Profile of 炔螨特
Property Insights of 炔螨特
The XLogP value of 5.0 indicates that 炔螨特 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 炔螨特. Following Lipinski's Rule of Five, 炔螨特 has 0 hydrogen bond donor(s) and 5 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 炔螨特?
The CAS number of 炔螨特 is 2312-35-8.
What is the molecular formula of 炔螨特?
The molecular formula of 炔螨特 is C19H26O4S.
What is the molecular weight of 炔螨特?
The molecular weight of 炔螨特 is 350.16 g/mol.
Where can I buy 炔螨特?
You can request a quote for 炔螨特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 炔螨特?
Yes, KEHONG BIO provides custom synthesis services for 炔螨特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.