(2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid
TL;DR: (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid (CAS 5135-47-7) is a chemical compound with molecular formula C10H7Cl2NO3 and molecular weight 258.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(2,5-dichloroanilino)-4-oxobut-2-enoic acid
Also Known As: N- MALEAMICACID, N-(2,5-DICHLOROPHENYL)MALEAMIC ACID, 2,5-dichloromaleanilic acid, (Z)-4-((2,5-dichlorophenyl)amino)-4-oxobut-2-enoic acid, (Z)-4-(2,5-dichloroanilino)-4-oxobut-2-enoic acid
| Molecular Formula | C10H7Cl2NO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 2.5727 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.9803 |
| Heavy Atoms | 16 |
| Complexity | 457.3774 |
Chemical Identifiers
| CAS Number | 5135-47-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)NC(=O)/C=C\C(=O)O)Cl |
Product Overview
(2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid (CAS 5135-47-7), with molecular formula C10H7Cl2NO3 and molecular weight 258.98 g/mol. IUPAC: (Z)-4-(2,5-dichloroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid
Property Insights of (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid
The XLogP value of 2.5727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid has 2 hydrogen bond donor(s) and 2 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 (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid?
The CAS number of (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid is 5135-47-7.
What is the molecular formula of (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid?
The molecular formula of (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid is C10H7Cl2NO3.
What is the molecular weight of (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid?
The molecular weight of (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid is 258.98 g/mol.
Where can I buy (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid?
You can request a quote for (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-4-((2,5-Dichlorophenyl)amino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.