3,5-Dinitrotyrosine
TL;DR: 3,5-Dinitrotyrosine (CAS 18386-16-8) is a chemical compound with molecular formula C9H9N3O7 and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
Also Known As: 3,5-Dinitrotyrosine, 3,5-Dinitro-DL-tyrosine, 3,5-Dinitro-L-tyrosine, 3,5-Dinitro-D-tyrosine, Tyrosine, 3,5-dinitro-
| Molecular Formula | C9H9N3O7 |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.04404 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 18386-16-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(C(=O)O)N |
| InChIKey | SAZOSDSFLRXREA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitrotyrosine (CAS 18386-16-8), with molecular formula C9H9N3O7 and molecular weight 271.04 g/mol. IUPAC: 2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid.
Chemical Property Profile of 3,5-Dinitrotyrosine
Property Insights of 3,5-Dinitrotyrosine
The XLogP value of -1.6 indicates that 3,5-Dinitrotyrosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 3,5-Dinitrotyrosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitrotyrosine has 3 hydrogen bond donor(s) and 8 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 3,5-Dinitrotyrosine?
The CAS number of 3,5-Dinitrotyrosine is 18386-16-8.
What is the molecular formula of 3,5-Dinitrotyrosine?
The molecular formula of 3,5-Dinitrotyrosine is C9H9N3O7.
What is the molecular weight of 3,5-Dinitrotyrosine?
The molecular weight of 3,5-Dinitrotyrosine is 271.04 g/mol.
Where can I buy 3,5-Dinitrotyrosine?
You can request a quote for 3,5-Dinitrotyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitrotyrosine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitrotyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.