Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate
TL;DR: Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate (CAS 875019-91-3) is a chemical compound with molecular formula C11H15N3O3S2 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate
Also Known As: propyl 4-oxo-4-(3-(thiazol-2-yl)thioureido)butanoate, propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate, VU0508741-1, F3087-0118, PROPYL 4-OXO-4-{[(1,3-THIAZOL-2-YL)CARBAMOTHIOYL]AMINO}BUTANOATE
| Molecular Formula | C11H15N3O3S2 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 1.6895 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.05548 |
| Heavy Atoms | 19 |
| Complexity | 434.40363 |
Chemical Identifiers
| CAS Number | 875019-91-3 |
|---|---|
| SMILES | CCCOC(=O)CCC(=O)NC(=S)NC1=NC=CS1 |
Product Overview
Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate (CAS 875019-91-3), with molecular formula C11H15N3O3S2 and molecular weight 301.06 g/mol. IUPAC: propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate.
Chemical Property Profile of Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate
Property Insights of Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate
The XLogP value of 1.6895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate. Following Lipinski's Rule of Five, Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate has 2 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 Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate?
The CAS number of Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate is 875019-91-3.
What is the molecular formula of Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate?
The molecular formula of Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate is C11H15N3O3S2.
What is the molecular weight of Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate?
The molecular weight of Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate is 301.06 g/mol.
Where can I buy Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate?
You can request a quote for Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.