3-(4-Methyl-2,6-dinitroanilino)propanoic acid
TL;DR: 3-(4-Methyl-2,6-dinitroanilino)propanoic acid (CAS 866157-48-4) is a chemical compound with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methyl-2,6-dinitroanilino)propanoic acid
Also Known As: 3-(4-methyl-2,6-dinitroanilino)propanoic acid, 3-[(4-methyl-2,6-dinitrophenyl)amino]propanoic acid, N-(4-Methyl-2,6-dinitrophenyl)-beta-alanine, 3-(4-methyl-2,6-dinitro-anilino)propanoic acid, N-(4-Methyl-2,6-dinitrophenyl)-I(2)-alanine
| Molecular Formula | C10H11N3O6 |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 1.69802 |
| Topological Polar Surface Area | 135.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.0648 |
| Heavy Atoms | 19 |
| Complexity | 507.06168 |
Chemical Identifiers
| CAS Number | 866157-48-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])NCCC(=O)O)[N+](=O)[O-] |
Product Overview
3-(4-Methyl-2,6-dinitroanilino)propanoic acid (CAS 866157-48-4), with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol. IUPAC: 3-(4-methyl-2,6-dinitroanilino)propanoic acid.
Chemical Property Profile of 3-(4-Methyl-2,6-dinitroanilino)propanoic acid
Property Insights of 3-(4-Methyl-2,6-dinitroanilino)propanoic acid
The XLogP value of 1.69802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methyl-2,6-dinitroanilino)propanoic acid. The TPSA of 135.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methyl-2,6-dinitroanilino)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Methyl-2,6-dinitroanilino)propanoic acid has 2 hydrogen bond donor(s) and 6 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 3-(4-Methyl-2,6-dinitroanilino)propanoic acid?
The CAS number of 3-(4-Methyl-2,6-dinitroanilino)propanoic acid is 866157-48-4.
What is the molecular formula of 3-(4-Methyl-2,6-dinitroanilino)propanoic acid?
The molecular formula of 3-(4-Methyl-2,6-dinitroanilino)propanoic acid is C10H11N3O6.
What is the molecular weight of 3-(4-Methyl-2,6-dinitroanilino)propanoic acid?
The molecular weight of 3-(4-Methyl-2,6-dinitroanilino)propanoic acid is 269.06 g/mol.
Where can I buy 3-(4-Methyl-2,6-dinitroanilino)propanoic acid?
You can request a quote for 3-(4-Methyl-2,6-dinitroanilino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methyl-2,6-dinitroanilino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methyl-2,6-dinitroanilino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.