2',6'-Crotonoxylidide
TL;DR: 2',6'-Crotonoxylidide (CAS 53984-79-5) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)but-2-enamide
Also Known As: 2',6'-CROTONOXYLIDIDE, N-(2,6-dimethylphenyl)but-2-enamide, 2-Butenamide, N-(2,6-dimethylphenyl)-
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.81804 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 346.33453 |
Chemical Identifiers
| CAS Number | 53984-79-5 |
|---|---|
| SMILES | CC=CC(=O)NC1=C(C=CC=C1C)C |
Product Overview
2',6'-Crotonoxylidide (CAS 53984-79-5), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: N-(2,6-dimethylphenyl)but-2-enamide.
Chemical Property Profile of 2',6'-Crotonoxylidide
Property Insights of 2',6'-Crotonoxylidide
The XLogP value of 2.81804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',6'-Crotonoxylidide. With a topological polar surface area (TPSA) of 29.1 Ų, 2',6'-Crotonoxylidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',6'-Crotonoxylidide has 1 hydrogen bond donor(s) and 1 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 2',6'-Crotonoxylidide?
The CAS number of 2',6'-Crotonoxylidide is 53984-79-5.
What is the molecular formula of 2',6'-Crotonoxylidide?
The molecular formula of 2',6'-Crotonoxylidide is C12H15NO.
What is the molecular weight of 2',6'-Crotonoxylidide?
The molecular weight of 2',6'-Crotonoxylidide is 189.12 g/mol.
Where can I buy 2',6'-Crotonoxylidide?
You can request a quote for 2',6'-Crotonoxylidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',6'-Crotonoxylidide?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-Crotonoxylidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.