![N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine structure](/static/products/3384/338400-56-9.webp)
N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine
TL;DR: N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine (CAS 338400-56-9) is a chemical compound with molecular formula C18H18F3N3 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
Also Known As: 2M-334S, N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine, 1-phenyl-3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine, (Z)-N''-phenyl-N'-(prop-2-en-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}guanidine
| Molecular Formula | C18H18F3N3 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 4.4491 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.1453 |
| Heavy Atoms | 24 |
| Complexity | 694.1552 |
Chemical Identifiers
| CAS Number | 338400-56-9 |
|---|---|
| SMILES | C=CCNC(=NCC1=CC(=CC=C1)C(F)(F)F)NC2=CC=CC=C2 |
Product Overview
N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine (CAS 338400-56-9), with molecular formula C18H18F3N3 and molecular weight 333.15 g/mol. IUPAC: 1-phenyl-3-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine.
Chemical Property Profile of N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine
Property Insights of N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine
The XLogP value of 4.4491 indicates that N-allyl-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-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine has 2 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-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
The CAS number of N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine is 338400-56-9.
What is the molecular formula of N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
The molecular formula of N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine is C18H18F3N3.
What is the molecular weight of N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
The molecular weight of N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine is 333.15 g/mol.
Where can I buy N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
You can request a quote for N-allyl-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-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N''-phenyl-N'-[3-(trifluoromethyl)benzyl]guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.