(Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid
TL;DR: (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid (CAS 329267-50-7) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-oxo-4-[2-(phenylcarbamothioylamino)ethylamino]but-2-enoic acid
Also Known As: F0856-0088, (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid, (Z)-4-oxo-4-[2-(phenylcarbamothioylamino)ethylamino]but-2-enoic acid, (Z)-3-[N-2-(3-phenylthioureido)ethylcarbamoyl]acrylic acid, 3-[2-(phenylthiocarbamoylamino)ethylcarbamoyl]prop-2-enoic Acid
| Molecular Formula | C13H15N3O3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 0.73 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.0834 |
| Heavy Atoms | 20 |
| Complexity | 502.84265 |
Chemical Identifiers
| CAS Number | 329267-50-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCCNC(=O)/C=C\C(=O)O |
Product Overview
(Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid (CAS 329267-50-7), with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol. IUPAC: (Z)-4-oxo-4-[2-(phenylcarbamothioylamino)ethylamino]but-2-enoic acid.
Chemical Property Profile of (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid
Property Insights of (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid
The XLogP value of 0.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid. Following Lipinski's Rule of Five, (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid has 4 hydrogen bond donor(s) and 3 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 (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid?
The CAS number of (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid is 329267-50-7.
What is the molecular formula of (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid?
The molecular formula of (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid is C13H15N3O3S.
What is the molecular weight of (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid?
The molecular weight of (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid is 293.08 g/mol.
Where can I buy (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid?
You can request a quote for (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-oxo-4-((2-(3-phenylthioureido)ethyl)amino)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.