4-Amino musk xylene
TL;DR: 4-Amino musk xylene (CAS 107342-55-2) is a chemical compound with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2,6-dimethyl-3,5-dinitroaniline
Also Known As: 4-Amino musk xylene, 4-amino-MX, 4-Amino-musk xylene, 4-tert-butyl-2,6-dimethyl-3,5-dinitroaniline, 4-Amino-2,6-dinitro-1-(tert-butyl)xylene
| Molecular Formula | C12H17N3O4 |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.12192 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 107342-55-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)N |
| InChIKey | PWFQZSWKBRPKJI-UHFFFAOYSA-N |
Product Overview
4-Amino musk xylene (CAS 107342-55-2), with molecular formula C12H17N3O4 and molecular weight 267.12 g/mol. IUPAC: 4-tert-butyl-2,6-dimethyl-3,5-dinitroaniline.
Chemical Property Profile of 4-Amino musk xylene
Property Insights of 4-Amino musk xylene
The XLogP value of 3.3 indicates that 4-Amino musk xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino musk xylene. Following Lipinski's Rule of Five, 4-Amino musk xylene has 1 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 4-Amino musk xylene?
The CAS number of 4-Amino musk xylene is 107342-55-2.
What is the molecular formula of 4-Amino musk xylene?
The molecular formula of 4-Amino musk xylene is C12H17N3O4.
What is the molecular weight of 4-Amino musk xylene?
The molecular weight of 4-Amino musk xylene is 267.12 g/mol.
Where can I buy 4-Amino musk xylene?
You can request a quote for 4-Amino musk xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino musk xylene?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino musk xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.