2,4-Dinitrophenylaminocaproyltyrosine
TL;DR: 2,4-Dinitrophenylaminocaproyltyrosine (CAS 104077-24-9) is a chemical compound with molecular formula C21H24N4O8 and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[6-(2,4-dinitroanilino)hexanoylamino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: Dnp-AC-tyr, 2,4-Dinitrophenylaminocaproyltyrosine, 2,4-Dinitrophenylaminocaproyl-L-tyrosine, N-[6-(2,4-Dinitroanilino)-1-hydroxyhexylidene]tyrosine, (2S)-2-[6-(2,4-dinitroanilino)hexanoylamino]-3-(4-hydroxyphenyl)propanoic acid
| Molecular Formula | C21H24N4O8 |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 460.15942 |
| Heavy Atoms | 33 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 104077-24-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CCCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | JUCODPLCOTZQPD-SFHVURJKSA-N |
Product Overview
2,4-Dinitrophenylaminocaproyltyrosine (CAS 104077-24-9), with molecular formula C21H24N4O8 and molecular weight 460.16 g/mol. IUPAC: (2S)-2-[6-(2,4-dinitroanilino)hexanoylamino]-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of 2,4-Dinitrophenylaminocaproyltyrosine
Property Insights of 2,4-Dinitrophenylaminocaproyltyrosine
The XLogP value of 3.7 indicates that 2,4-Dinitrophenylaminocaproyltyrosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting 2,4-Dinitrophenylaminocaproyltyrosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitrophenylaminocaproyltyrosine has 4 hydrogen bond donor(s) and 9 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 2,4-Dinitrophenylaminocaproyltyrosine?
The CAS number of 2,4-Dinitrophenylaminocaproyltyrosine is 104077-24-9.
What is the molecular formula of 2,4-Dinitrophenylaminocaproyltyrosine?
The molecular formula of 2,4-Dinitrophenylaminocaproyltyrosine is C21H24N4O8.
What is the molecular weight of 2,4-Dinitrophenylaminocaproyltyrosine?
The molecular weight of 2,4-Dinitrophenylaminocaproyltyrosine is 460.16 g/mol.
Where can I buy 2,4-Dinitrophenylaminocaproyltyrosine?
You can request a quote for 2,4-Dinitrophenylaminocaproyltyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenylaminocaproyltyrosine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenylaminocaproyltyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.