2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid
TL;DR: 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid (CAS 14503-40-3) is a chemical compound with molecular formula C15H11N5O10S and molecular weight 453.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid
Also Known As: Undecan-4-olide, N,S-Di(DNP)-L-cysteine, n,s-bis(2,4-dinitrophenyl)cysteine, N,S-Di(2,4-dinitrophenyl)-L-cysteine, N,S-bis-(2,4-dinitro-phenyl)-L-cysteine
| Molecular Formula | C15H11N5O10S |
|---|---|
| Molecular Weight | 453.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.02267 |
| Heavy Atoms | 31 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 14503-40-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | BWXMKHIUCXHRIC-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid (CAS 14503-40-3), with molecular formula C15H11N5O10S and molecular weight 453.02 g/mol. IUPAC: 2-(2,4-dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid.
Chemical Property Profile of 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid
Property Insights of 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid
The XLogP value of 3.6 indicates that 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 258.0 Ų indicates high polarity, suggesting 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid?
The CAS number of 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid is 14503-40-3.
What is the molecular formula of 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid?
The molecular formula of 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid is C15H11N5O10S.
What is the molecular weight of 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid?
The molecular weight of 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid is 453.02 g/mol.
Where can I buy 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid?
You can request a quote for 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic 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-(2,4-dinitrophenyl)sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitroanilino)-3-(2,4-dinitrophenyl)sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.