4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)
TL;DR: 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) (CAS 171088-76-9) is a chemical compound with molecular formula C13H16N4O5S and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-1,3-thiazol-2-amine;4-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1), Butanoic acid, 4-((3-nitrophenyl)amino)-4-oxo-, compd. with 4,5-dihydro-2-thiazolamine (1:1), 4,5-dihydro-1,3-thiazol-2-amine; 4-(3-nitroanilino)-4-oxobutanoic acid, 4,5-dihydro-1,3-thiazol-2-amine;4-(3-nitroanilino)-4-oxobutanoic acid, 4-(3-Nitroanilino)-4-oxobutanoic acid--4,5-dihydro-1,3-thiazol-2-amine (1/1)
| Molecular Formula | C13H16N4O5S |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 1.446 |
| Topological Polar Surface Area | 147.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.08414 |
| Heavy Atoms | 23 |
| Complexity | 620.1374 |
Chemical Identifiers
| CAS Number | 171088-76-9 |
|---|---|
| SMILES | C1CSC(=N1)N.C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)O |
Product Overview
4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) (CAS 171088-76-9), with molecular formula C13H16N4O5S and molecular weight 340.08 g/mol. IUPAC: 4,5-dihydro-1,3-thiazol-2-amine;4-(3-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)
Property Insights of 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)
The XLogP value of 1.446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1). The TPSA of 147.92 Ų indicates high polarity, suggesting 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) has 3 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 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)?
The CAS number of 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) is 171088-76-9.
What is the molecular formula of 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)?
The molecular formula of 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) is C13H16N4O5S.
What is the molecular weight of 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)?
The molecular weight of 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) is 340.08 g/mol.
Where can I buy 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)?
You can request a quote for 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Nitrophenyl)amino)-4-oxobutanoic acid compd. with 4,5-dihydro-2-thiazolamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.