![2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid structure](/static/products/3169/31697-22-0.webp)
2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid
TL;DR: 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid (CAS 31697-22-0) is a chemical compound with molecular formula C12H15N3O6 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroanilino)-3-methylpentanoic acid
Also Known As: DNP-L-isoleucine, n-(2,4-dinitrophenyl)isoleucine, NCIOpen2_007123, l-isoleucine, N-dinitrophenyl-, L-Isoleucine,4-dinitrophenyl)-
| Molecular Formula | C12H15N3O6 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0961 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 31697-22-0 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PCZSORDQCDENOD-UHFFFAOYSA-N |
Product Overview
2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid (CAS 31697-22-0), with molecular formula C12H15N3O6 and molecular weight 297.10 g/mol. IUPAC: 2-(2,4-dinitroanilino)-3-methylpentanoic acid.
Chemical Property Profile of 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid
Property Insights of 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid
The XLogP value of 3.4 indicates that 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic 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-Dinitrophenyl)amino]-3-methylpentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic 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-Dinitrophenyl)amino]-3-methylpentanoic acid?
The CAS number of 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid is 31697-22-0.
What is the molecular formula of 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid?
The molecular formula of 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid is C12H15N3O6.
What is the molecular weight of 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid?
The molecular weight of 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid is 297.10 g/mol.
Where can I buy 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid?
You can request a quote for 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic 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-Dinitrophenyl)amino]-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Dinitrophenyl)amino]-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.