F0452-4106
TL;DR: F0452-4106 (CAS 321529-84-4) is a chemical compound with molecular formula C21H17F3N2O2S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-naphthalen-1-yl-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: F0452-4106, N-(naphthalen-1-yl)-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-naphthalen-1-yl-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2,2,2-trifluoro-N-[3-(N-naphthylcarbamoyl)(4,5,6,7-tetrahydrobenzo[b]thiophen- 2-yl)]acetamide, N-(naphthalen-1-yl)-2-[(trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H17F3N2O2S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 5.5332 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.09628 |
| Heavy Atoms | 29 |
| Complexity | 1099.7395 |
Chemical Identifiers
| CAS Number | 321529-84-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C(F)(F)F)C(=O)NC3=CC=CC4=CC=CC=C43 |
Product Overview
F0452-4106 (CAS 321529-84-4), with molecular formula C21H17F3N2O2S and molecular weight 418.10 g/mol. IUPAC: N-naphthalen-1-yl-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of F0452-4106
Property Insights of F0452-4106
The XLogP value of 5.5332 indicates that F0452-4106 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, F0452-4106 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0452-4106 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0452-4106?
The CAS number of F0452-4106 is 321529-84-4.
What is the molecular formula of F0452-4106?
The molecular formula of F0452-4106 is C21H17F3N2O2S.
What is the molecular weight of F0452-4106?
The molecular weight of F0452-4106 is 418.10 g/mol.
Where can I buy F0452-4106?
You can request a quote for F0452-4106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0452-4106?
Yes, KEHONG BIO provides custom synthesis services for F0452-4106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.