![Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- structure](/static/products/5521/55213-20-2.webp)
Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-
TL;DR: Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- (CAS 55213-20-2) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(anilinomethylidene)-3-oxo-N-phenylbutanethioamide
Also Known As: 2-(anilinomethylidene)-3-oxo-N-phenylbutanethioamide, Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-, Butanethioamide,3-oxo-N-phenyl-2-[(phenylamino)methylene]
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 4.0109 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 651.005 |
Chemical Identifiers
| CAS Number | 55213-20-2 |
|---|---|
| SMILES | CC(=O)C(=CNC1=CC=CC=C1)C(=S)NC2=CC=CC=C2 |
Product Overview
Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- (CAS 55213-20-2), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: 2-(anilinomethylidene)-3-oxo-N-phenylbutanethioamide.
Chemical Property Profile of Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-
Property Insights of Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-
The XLogP value of 4.0109 indicates that Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- has 2 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 Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-?
The CAS number of Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- is 55213-20-2.
What is the molecular formula of Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-?
The molecular formula of Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- is C17H16N2OS.
What is the molecular weight of Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-?
The molecular weight of Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- is 296.10 g/mol.
Where can I buy Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-?
You can request a quote for Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Butanethioamide, 3-oxo-N-phenyl-2-[(phenylamino)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.