Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-
TL;DR: Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- (CAS 59403-01-9) is a chemical compound with molecular formula C6H6Cl3NO and molecular weight 212.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1E)-buta-1,3-dienyl]-2,2,2-trichloroacetamide
Also Known As: Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-, N-[(1E)-buta-1,3-dienyl]-2,2,2-trichloroacetamide, N-[(1E)-1,3-butadienyl]-2,2,2-trichloroacetamide
| Molecular Formula | C6H6Cl3NO |
|---|---|
| Molecular Weight | 212.95 g/mol |
| LogP | 2.1725 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.95149 |
| Heavy Atoms | 11 |
| Complexity | 182.75664 |
Chemical Identifiers
| CAS Number | 59403-01-9 |
|---|---|
| SMILES | C=C/C=C/NC(=O)C(Cl)(Cl)Cl |
Product Overview
Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- (CAS 59403-01-9), with molecular formula C6H6Cl3NO and molecular weight 212.95 g/mol. IUPAC: N-[(1E)-buta-1,3-dienyl]-2,2,2-trichloroacetamide.
Chemical Property Profile of Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-
Property Insights of Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-
The XLogP value of 2.1725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-. With a topological polar surface area (TPSA) of 29.1 Ų, Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- 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 Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-?
The CAS number of Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- is 59403-01-9.
What is the molecular formula of Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-?
The molecular formula of Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- is C6H6Cl3NO.
What is the molecular weight of Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-?
The molecular weight of Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- is 212.95 g/mol.
Where can I buy Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-?
You can request a quote for Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-1,3-butadienyl-2,2,2-trichloro-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.