N-Allyltrichloroacetamide
TL;DR: N-Allyltrichloroacetamide (CAS 39089-56-0) is a chemical compound with molecular formula C5H6Cl3NO and molecular weight 200.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-N-prop-2-enylacetamide
Also Known As: N-Allyltrichloroacetamide, N-Allyl-2,2,2-trichloroacetamide, 2,2,2-trichloro-N-prop-2-enylacetamide, 2,2,2-trichloro-N-(2-propenyl)acetamide, 2,2,2-trichloro-N-prop-2-enyl-acetamide
| Molecular Formula | C5H6Cl3NO |
|---|---|
| Molecular Weight | 200.95 g/mol |
| LogP | 1.6588 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.95149 |
| Heavy Atoms | 10 |
| Complexity | 140.31871 |
Chemical Identifiers
| CAS Number | 39089-56-0 |
|---|---|
| SMILES | C=CCNC(=O)C(Cl)(Cl)Cl |
Product Overview
N-Allyltrichloroacetamide (CAS 39089-56-0), with molecular formula C5H6Cl3NO and molecular weight 200.95 g/mol. IUPAC: 2,2,2-trichloro-N-prop-2-enylacetamide.
Chemical Property Profile of N-Allyltrichloroacetamide
Property Insights of N-Allyltrichloroacetamide
The XLogP value of 1.6588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allyltrichloroacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-Allyltrichloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allyltrichloroacetamide 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 N-Allyltrichloroacetamide?
The CAS number of N-Allyltrichloroacetamide is 39089-56-0.
What is the molecular formula of N-Allyltrichloroacetamide?
The molecular formula of N-Allyltrichloroacetamide is C5H6Cl3NO.
What is the molecular weight of N-Allyltrichloroacetamide?
The molecular weight of N-Allyltrichloroacetamide is 200.95 g/mol.
Where can I buy N-Allyltrichloroacetamide?
You can request a quote for N-Allyltrichloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allyltrichloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Allyltrichloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.