2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid
TL;DR: 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid (CAS 1026093-11-7) is a chemical compound with molecular formula C14H19N3O5 and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: AB00553378-02, F1278-0435, 2-(2-methylpropylamino)-4-(3-nitroanilino)-4-oxobutanoic acid, 2-(isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid, 2-[(2-METHYLPROPYL)AMINO]-3-[(3-NITROPHENYL)CARBAMOYL]PROPANOIC ACID
| Molecular Formula | C14H19N3O5 |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 1.6222 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.13248 |
| Heavy Atoms | 22 |
| Complexity | 559.16425 |
Chemical Identifiers
| CAS Number | 1026093-11-7 |
|---|---|
| SMILES | CC(C)CNC(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O |
Product Overview
2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid (CAS 1026093-11-7), with molecular formula C14H19N3O5 and molecular weight 309.13 g/mol. IUPAC: 2-(2-methylpropylamino)-4-(3-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid
Property Insights of 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid
The XLogP value of 1.6222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 5 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-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
The CAS number of 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid is 1026093-11-7.
What is the molecular formula of 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
The molecular formula of 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid is C14H19N3O5.
What is the molecular weight of 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
The molecular weight of 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid is 309.13 g/mol.
Where can I buy 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
You can request a quote for 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isobutylamino)-4-((3-nitrophenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.