N-benzyl-2,2,2-trichloroacetamide
TL;DR: N-benzyl-2,2,2-trichloroacetamide (CAS 4257-83-4) is a chemical compound with molecular formula C9H8Cl3NO and molecular weight 250.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2,2,2-trichloroacetamide
Also Known As: n-Heptadecane, n-phenethyl-2, N-benzyl-2,2,2-trichloroacetamide, Bn-TCA, benzyltrichloroacetamidate
| Molecular Formula | C9H8Cl3NO |
|---|---|
| Molecular Weight | 250.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.96715 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 4257-83-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C(Cl)(Cl)Cl |
| InChIKey | UFYZWSUSEMXNGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzyl-2,2,2-trichloroacetamide (CAS 4257-83-4), with molecular formula C9H8Cl3NO and molecular weight 250.97 g/mol. IUPAC: N-benzyl-2,2,2-trichloroacetamide.
Chemical Property Profile of N-benzyl-2,2,2-trichloroacetamide
Property Insights of N-benzyl-2,2,2-trichloroacetamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2,2,2-trichloroacetamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-benzyl-2,2,2-trichloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2,2,2-trichloroacetamide 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-benzyl-2,2,2-trichloroacetamide?
The CAS number of N-benzyl-2,2,2-trichloroacetamide is 4257-83-4.
What is the molecular formula of N-benzyl-2,2,2-trichloroacetamide?
The molecular formula of N-benzyl-2,2,2-trichloroacetamide is C9H8Cl3NO.
What is the molecular weight of N-benzyl-2,2,2-trichloroacetamide?
The molecular weight of N-benzyl-2,2,2-trichloroacetamide is 250.97 g/mol.
Where can I buy N-benzyl-2,2,2-trichloroacetamide?
You can request a quote for N-benzyl-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-benzyl-2,2,2-trichloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2,2,2-trichloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.