4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid
TL;DR: 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid (CAS 1026764-79-3) is a chemical compound with molecular formula C19H28N4O3S and molecular weight 392.1882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-2-(pentylamino)-4-[3-(prop-2-enylcarbamothioylamino)anilino]butanoic acid
Also Known As: VU0512760-1, 4-((3-(3-allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid, 4-oxo-2-(pentylamino)-4-[3-(prop-2-enylcarbamothioylamino)anilino]butanoic acid, F3177-0030, 2-(PENTYLAMINO)-3-[(3-{[(PROP-2-EN-1-YL)CARBAMOTHIOYL]AMINO}PHENYL)CARBAMOYL]PROPANOIC ACID
Technical Specifications
| Molecular Formula | C19H28N4O3S |
| Molecular Weight | 392.1882 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 392.1882 Da |
| Heavy Atoms | 27 |
| Complexity | 501.0 |
| SMILES | CCCCCNC(CC(=O)NC1=CC(=CC=C1)NC(=S)NCC=C)C(=O)O |
| InChIKey | XBDGDTBBVPQEGL-UHFFFAOYSA-N |
Product Description
Applications: 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid is a fine chemical identified by CAS number 1026764-79-3 and the molecular formula C19H28N4O3S and a molecular weight of 392.19 g/mol. Synonyms include VU0512760-1 and 4-((3-(3-allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid
Property Insights of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid. Following Lipinski's Rule of Five, 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid?
The CAS number of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid is 1026764-79-3.
What is the molecular formula of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid?
The molecular formula of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid is C19H28N4O3S.
What is the molecular weight of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid?
The molecular weight of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid is 392.1882 g/mol.
What are the applications of 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid?
4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid?
You can request a quote for 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((3-(3-Allylthioureido)phenyl)amino)-4-oxo-2-(pentylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.