N-benzyl-2,2,2-trichloro-acetamidine
TL;DR: N-benzyl-2,2,2-trichloro-acetamidine (CAS 3334-81-4) is a chemical compound with molecular formula C9H9Cl3N2 and molecular weight 249.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-benzyl-2,2,2-trichloroethanimidamide
Also Known As: N-benzyl-2,2,2-trichloro-acetamidine, N-benzyl-2,2,2-trichloroethanimidamide, N'-benzyl-2,2,2-trichloroethanimidamide, N'-benzyl-2,2,2-trichloro-ethanimidamide, (2Z)-1,1,1-trichloro-4-phenyl-3-azabut-2-en-2-ylamine
| Molecular Formula | C9H9Cl3N2 |
|---|---|
| Molecular Weight | 249.98 g/mol |
| LogP | 2.914 |
| Topological Polar Surface Area | 38.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.98312 |
| Heavy Atoms | 14 |
| Complexity | 316.57898 |
Chemical Identifiers
| CAS Number | 3334-81-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=C(C(Cl)(Cl)Cl)N |
Product Overview
N-benzyl-2,2,2-trichloro-acetamidine (CAS 3334-81-4), with molecular formula C9H9Cl3N2 and molecular weight 249.98 g/mol. IUPAC: N'-benzyl-2,2,2-trichloroethanimidamide.
Chemical Property Profile of N-benzyl-2,2,2-trichloro-acetamidine
Property Insights of N-benzyl-2,2,2-trichloro-acetamidine
The XLogP value of 2.914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2,2,2-trichloro-acetamidine. With a topological polar surface area (TPSA) of 38.38 Ų, N-benzyl-2,2,2-trichloro-acetamidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2,2,2-trichloro-acetamidine 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-trichloro-acetamidine?
The CAS number of N-benzyl-2,2,2-trichloro-acetamidine is 3334-81-4.
What is the molecular formula of N-benzyl-2,2,2-trichloro-acetamidine?
The molecular formula of N-benzyl-2,2,2-trichloro-acetamidine is C9H9Cl3N2.
What is the molecular weight of N-benzyl-2,2,2-trichloro-acetamidine?
The molecular weight of N-benzyl-2,2,2-trichloro-acetamidine is 249.98 g/mol.
Where can I buy N-benzyl-2,2,2-trichloro-acetamidine?
You can request a quote for N-benzyl-2,2,2-trichloro-acetamidine 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-trichloro-acetamidine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2,2,2-trichloro-acetamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.