4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid
TL;DR: 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid (CAS 402945-20-4) is a chemical compound with molecular formula C18H16N4O6S and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(3-nitrobenzoyl)carbamothioylamino]anilino]-4-oxobutanoic acid
Also Known As: AB00685331-01, F0856-0081, 4-((4-(3-(3-nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid, 4-[4-[(3-nitrobenzoyl)carbamothioylamino]anilino]-4-oxobutanoic acid, 3-{[4-({[(3-NITROPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)PHENYL]CARBAMOYL}PROPANOIC ACID
| Molecular Formula | C18H16N4O6S |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 2.5249 |
| Topological Polar Surface Area | 150.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.07904 |
| Heavy Atoms | 29 |
| Complexity | 961.0786 |
Chemical Identifiers
| CAS Number | 402945-20-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC(=O)O |
Product Overview
4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid (CAS 402945-20-4), with molecular formula C18H16N4O6S and molecular weight 416.08 g/mol. IUPAC: 4-[4-[(3-nitrobenzoyl)carbamothioylamino]anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid
Property Insights of 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid
The XLogP value of 2.5249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid. The TPSA of 150.67 Ų indicates high polarity, suggesting 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid has 4 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 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid?
The CAS number of 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid is 402945-20-4.
What is the molecular formula of 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid is C18H16N4O6S.
What is the molecular weight of 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid is 416.08 g/mol.
Where can I buy 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)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 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(3-(3-Nitrobenzoyl)thioureido)phenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.