酮麝香
TL;DR: 酮麝香 (CAS 81-14-1) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酮麝香
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Also Known As: MUSK KETONE, Ketone moschus, Muskketone, Ketone musk, Acephenone
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
| Melting Point | 274.1 to 136.5 °C |
| Density | Relative density: 0.73 g/cu cm |
| Solubility | Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992) |
| Flash Point | >168 °C (>167.8 °C) - closed cup |
| Vapor Pressure | 3.00X10-7 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 81-14-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C |
| InChIKey | WXCMHFPAUCOJIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酮麝香 (CAS 81-14-1), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone.
Chemical Property Profile of 酮麝香
Property Insights of 酮麝香
The XLogP value of 3.7 indicates that 酮麝香 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 酮麝香. Following Lipinski's Rule of Five, 酮麝香 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 酮麝香?
The CAS number of 酮麝香 is 81-14-1.
What is the molecular formula of 酮麝香?
The molecular formula of 酮麝香 is C14H18N2O5.
What is the molecular weight of 酮麝香?
The molecular weight of 酮麝香 is 294.12 g/mol.
Where can I buy 酮麝香?
You can request a quote for 酮麝香 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酮麝香?
Yes, KEHONG BIO provides custom synthesis services for 酮麝香 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.