Benzoyltyrosine 4-nitroanilide
TL;DR: Benzoyltyrosine 4-nitroanilide (CAS 6286-87-9) is a chemical compound with molecular formula C22H19N3O5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-3-(4-hydroxyphenyl)-1-(4-nitroanilino)-1-oxopropan-2-yl]benzamide
Also Known As: BZ-TYR-PNA, BTPNA, N-Benzoyl-l-tyrosine p-nitroanilide, N-Benzoyl-Tyr-Nan, Bz-L-Tyr-Pna
| Molecular Formula | C22H19N3O5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.13248 |
| Heavy Atoms | 30 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 6286-87-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CJERUMAUMMIPRF-FQEVSTJZSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoyltyrosine 4-nitroanilide (CAS 6286-87-9), with molecular formula C22H19N3O5 and molecular weight 405.13 g/mol. IUPAC: N-[(2S)-3-(4-hydroxyphenyl)-1-(4-nitroanilino)-1-oxopropan-2-yl]benzamide.
Chemical Property Profile of Benzoyltyrosine 4-nitroanilide
Property Insights of Benzoyltyrosine 4-nitroanilide
The XLogP value of 3.6 indicates that Benzoyltyrosine 4-nitroanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoyltyrosine 4-nitroanilide. Following Lipinski's Rule of Five, Benzoyltyrosine 4-nitroanilide has 3 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 Benzoyltyrosine 4-nitroanilide?
The CAS number of Benzoyltyrosine 4-nitroanilide is 6286-87-9.
What is the molecular formula of Benzoyltyrosine 4-nitroanilide?
The molecular formula of Benzoyltyrosine 4-nitroanilide is C22H19N3O5.
What is the molecular weight of Benzoyltyrosine 4-nitroanilide?
The molecular weight of Benzoyltyrosine 4-nitroanilide is 405.13 g/mol.
Where can I buy Benzoyltyrosine 4-nitroanilide?
You can request a quote for Benzoyltyrosine 4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoyltyrosine 4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for Benzoyltyrosine 4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.