N,N-diallyl-2,2,2-trichloroacetamide
TL;DR: N,N-diallyl-2,2,2-trichloroacetamide (CAS 39089-57-1) is a chemical compound with molecular formula C8H10Cl3NO and molecular weight 240.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
Also Known As: N,N-diallyl-2,2,2-trichloroacetamide, N,N-Diallyltrichloroacetamide, N,N-diallyl-2,2,2-trichloro-acetamide, 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide, 2,2,2-trichloro-N,N-bis(prop-2-en-1-yl)acetamide
| Molecular Formula | C8H10Cl3NO |
|---|---|
| Molecular Weight | 240.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.9828 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 39089-57-1 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)C(Cl)(Cl)Cl |
| InChIKey | FCLMEOAIBNBGBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-diallyl-2,2,2-trichloroacetamide (CAS 39089-57-1), with molecular formula C8H10Cl3NO and molecular weight 240.98 g/mol. IUPAC: 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide.
Chemical Property Profile of N,N-diallyl-2,2,2-trichloroacetamide
Property Insights of N,N-diallyl-2,2,2-trichloroacetamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diallyl-2,2,2-trichloroacetamide. With a topological polar surface area (TPSA) of 20.3 Ų, N,N-diallyl-2,2,2-trichloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diallyl-2,2,2-trichloroacetamide has 0 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 N,N-diallyl-2,2,2-trichloroacetamide?
The CAS number of N,N-diallyl-2,2,2-trichloroacetamide is 39089-57-1.
What is the molecular formula of N,N-diallyl-2,2,2-trichloroacetamide?
The molecular formula of N,N-diallyl-2,2,2-trichloroacetamide is C8H10Cl3NO.
What is the molecular weight of N,N-diallyl-2,2,2-trichloroacetamide?
The molecular weight of N,N-diallyl-2,2,2-trichloroacetamide is 240.98 g/mol.
Where can I buy N,N-diallyl-2,2,2-trichloroacetamide?
You can request a quote for N,N-diallyl-2,2,2-trichloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diallyl-2,2,2-trichloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diallyl-2,2,2-trichloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.