DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid
TL;DR: DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid (CAS 1695-02-9) is a chemical compound with molecular formula C11H13N3O7S and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroanilino)-4-methylsulfinylbutanoic acid
Also Known As: DNP-DL-methionine sulfoxide, N-2,4-Dnp-DL-methionine sulfoxide, DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid, 2-(2,4-dinitroanilino)-4-methylsulfinylbutanoic acid, N-(2,4-Dinitrophenyl)-DL-methionine sulfoxide
| Molecular Formula | C11H13N3O7S |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.04742 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 1695-02-9 |
|---|---|
| SMILES | CS(=O)CCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FTOHDWRUZIRPDU-UHFFFAOYSA-N |
Product Overview
DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid (CAS 1695-02-9), with molecular formula C11H13N3O7S and molecular weight 331.05 g/mol. IUPAC: 2-(2,4-dinitroanilino)-4-methylsulfinylbutanoic acid.
Chemical Property Profile of DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid
Property Insights of DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid. The TPSA of 177.0 Ų indicates high polarity, suggesting DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid has 2 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 DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid?
The CAS number of DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid is 1695-02-9.
What is the molecular formula of DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid?
The molecular formula of DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid is C11H13N3O7S.
What is the molecular weight of DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid?
The molecular weight of DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid is 331.05 g/mol.
Where can I buy DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid?
You can request a quote for DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.