2-(2,4-Dinitroanilino)-3-methylbutanoic acid
TL;DR: 2-(2,4-Dinitroanilino)-3-methylbutanoic acid (CAS 10547-33-8) is a chemical compound with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroanilino)-3-methylbutanoic acid
Also Known As: Dnp-L-valine, N-(2,4-Dinitrophenyl)-L-valine, Dnp-Val-OH, n-(2,4-dinitrophenyl)valine, (2,4-Dinitrophenyl)valine
| Molecular Formula | C11H13N3O6 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.08044 |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 10547-33-8 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AYLCDVYHZOZQKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,4-Dinitroanilino)-3-methylbutanoic acid (CAS 10547-33-8), with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol. IUPAC: 2-(2,4-dinitroanilino)-3-methylbutanoic acid.
Chemical Property Profile of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid
Property Insights of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid
The XLogP value of 3.2 indicates that 2-(2,4-Dinitroanilino)-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 2-(2,4-Dinitroanilino)-3-methylbutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,4-Dinitroanilino)-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 7 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-(2,4-Dinitroanilino)-3-methylbutanoic acid?
The CAS number of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid is 10547-33-8.
What is the molecular formula of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid?
The molecular formula of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid is C11H13N3O6.
What is the molecular weight of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid?
The molecular weight of 2-(2,4-Dinitroanilino)-3-methylbutanoic acid is 283.08 g/mol.
Where can I buy 2-(2,4-Dinitroanilino)-3-methylbutanoic acid?
You can request a quote for 2-(2,4-Dinitroanilino)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dinitroanilino)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitroanilino)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.