N-(3,5-Dinitrobenzoyl)tyrosine
TL;DR: N-(3,5-Dinitrobenzoyl)tyrosine (CAS 86091-65-8) is a chemical compound with molecular formula C16H13N3O8 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: Dnb-tyr, N- tyrosine, N-(3,5-Dinitrobenzoyl)tyrosine, 3,5-dinitrobenzoyltyrosine, N-(3,5-Dinitrobenzoyl)-L-tyrosine
| Molecular Formula | C16H13N3O8 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.07025 |
| Heavy Atoms | 27 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 86091-65-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | DCSVEDZIOSFADB-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3,5-Dinitrobenzoyl)tyrosine (CAS 86091-65-8), with molecular formula C16H13N3O8 and molecular weight 375.07 g/mol. IUPAC: (2S)-2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of N-(3,5-Dinitrobenzoyl)tyrosine
Property Insights of N-(3,5-Dinitrobenzoyl)tyrosine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,5-Dinitrobenzoyl)tyrosine. The TPSA of 178.0 Ų indicates high polarity, suggesting N-(3,5-Dinitrobenzoyl)tyrosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3,5-Dinitrobenzoyl)tyrosine 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 N-(3,5-Dinitrobenzoyl)tyrosine?
The CAS number of N-(3,5-Dinitrobenzoyl)tyrosine is 86091-65-8.
What is the molecular formula of N-(3,5-Dinitrobenzoyl)tyrosine?
The molecular formula of N-(3,5-Dinitrobenzoyl)tyrosine is C16H13N3O8.
What is the molecular weight of N-(3,5-Dinitrobenzoyl)tyrosine?
The molecular weight of N-(3,5-Dinitrobenzoyl)tyrosine is 375.07 g/mol.
Where can I buy N-(3,5-Dinitrobenzoyl)tyrosine?
You can request a quote for N-(3,5-Dinitrobenzoyl)tyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-Dinitrobenzoyl)tyrosine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-Dinitrobenzoyl)tyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.