Musk ambrette
TL;DR: Musk ambrette (CAS 83-66-9) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
Also Known As: MUSK AMBRETTE, Amber musk, Ambrette musk, Synthetic musk ambrette, Artificial musk ambrette
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| Melting Point | 183 to 86.1 °C |
| Boiling Point | 135.0 °C at 16 mmHg |
| Solubility | Insoluble (NTP, 1992) |
| Vapor Pressure | 0.0000131 [mmHg] |
Chemical Identifiers
| CAS Number | 83-66-9 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | SUAUILGSCPYJCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Musk ambrette (CAS 83-66-9), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene.
Chemical Property Profile of Musk ambrette
Property Insights of Musk ambrette
The XLogP value of 3.6 indicates that Musk ambrette is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Musk ambrette. Following Lipinski's Rule of Five, Musk ambrette 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 Musk ambrette?
The CAS number of Musk ambrette is 83-66-9.
What is the molecular formula of Musk ambrette?
The molecular formula of Musk ambrette is C12H16N2O5.
What is the molecular weight of Musk ambrette?
The molecular weight of Musk ambrette is 268.11 g/mol.
Where can I buy Musk ambrette?
You can request a quote for Musk ambrette directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Musk ambrette?
Yes, KEHONG BIO provides custom synthesis services for Musk ambrette and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.