N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
TL;DR: N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide (CAS 785800-34-2) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
Also Known As: N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide, (E)-N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.8798 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 454.22968 |
Chemical Identifiers
| CAS Number | 785800-34-2 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C/C1=CC=C(S1)C)/C#N |
Product Overview
N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide (CAS 785800-34-2), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: (E)-N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide.
Chemical Property Profile of N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
Property Insights of N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
The XLogP value of 2.8798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide has 1 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 N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
The CAS number of N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide is 785800-34-2.
What is the molecular formula of N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
The molecular formula of N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide is C13H16N2OS.
What is the molecular weight of N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
The molecular weight of N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide is 248.10 g/mol.
Where can I buy N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
You can request a quote for N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.