N-Crotyl-N-propargyl-p-toluenesulfonamide
TL;DR: N-Crotyl-N-propargyl-p-toluenesulfonamide (CAS 50401-85-9) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-but-2-enyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
Also Known As: N-Crotyl-N-propargyl-p-toluenesulfonamide, Benzenesulfonamide, N-(2E)-2-butenyl-4-methyl-N-2-propynyl-, J1.454.243D, N-(2-Butenyl)-N-propargyl-p-toluenesulfonamide, N-Propargyl-N-(2-butenyl)-p-toluenesulfonamide
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 2.19502 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 550.45197 |
Chemical Identifiers
| CAS Number | 50401-85-9 |
|---|---|
| SMILES | C/C=C/CN(CC#C)S(=O)(=O)C1=CC=C(C=C1)C |
Product Overview
N-Crotyl-N-propargyl-p-toluenesulfonamide (CAS 50401-85-9), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: N-[(E)-but-2-enyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide.
Chemical Property Profile of N-Crotyl-N-propargyl-p-toluenesulfonamide
Property Insights of N-Crotyl-N-propargyl-p-toluenesulfonamide
The XLogP value of 2.19502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Crotyl-N-propargyl-p-toluenesulfonamide. With a topological polar surface area (TPSA) of 37.38 Ų, N-Crotyl-N-propargyl-p-toluenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Crotyl-N-propargyl-p-toluenesulfonamide has 0 hydrogen bond donor(s) and 2 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-Crotyl-N-propargyl-p-toluenesulfonamide?
The CAS number of N-Crotyl-N-propargyl-p-toluenesulfonamide is 50401-85-9.
What is the molecular formula of N-Crotyl-N-propargyl-p-toluenesulfonamide?
The molecular formula of N-Crotyl-N-propargyl-p-toluenesulfonamide is C14H17NO2S.
What is the molecular weight of N-Crotyl-N-propargyl-p-toluenesulfonamide?
The molecular weight of N-Crotyl-N-propargyl-p-toluenesulfonamide is 263.10 g/mol.
Where can I buy N-Crotyl-N-propargyl-p-toluenesulfonamide?
You can request a quote for N-Crotyl-N-propargyl-p-toluenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Crotyl-N-propargyl-p-toluenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-Crotyl-N-propargyl-p-toluenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.