![N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine structure](/static/products/3384/338400-52-5.webp)
N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine
TL;DR: N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine (CAS 338400-52-5) is a chemical compound with molecular formula C19H22F3N3 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
Also Known As: N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine, 1-butyl-3-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine, 1-Butyl-3-phenyl-2-(3-(trifluoromethyl)benzyl)guanidine, (Z)-1-Butyl-2-phenyl-3-(3-(trifluoromethyl)benzyl)guanidine, (Z)-N'-butyl-N''-phenyl-N-{[3-(trifluoromethyl)phenyl]methyl}guanidine
| Molecular Formula | C19H22F3N3 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 5.0632 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.17657 |
| Heavy Atoms | 25 |
| Complexity | 681.8137 |
Chemical Identifiers
| CAS Number | 338400-52-5 |
|---|---|
| SMILES | CCCCNC(=NCC1=CC(=CC=C1)C(F)(F)F)NC2=CC=CC=C2 |
Product Overview
N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine (CAS 338400-52-5), with molecular formula C19H22F3N3 and molecular weight 349.18 g/mol. IUPAC: 1-butyl-3-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine.
Chemical Property Profile of N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine
Property Insights of N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine
The XLogP value of 5.0632 indicates that N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.42 Ų, N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
The CAS number of N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine is 338400-52-5.
What is the molecular formula of N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
The molecular formula of N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine is C19H22F3N3.
What is the molecular weight of N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
The molecular weight of N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine is 349.18 g/mol.
Where can I buy N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
You can request a quote for N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.