A1894/0079484
TL;DR: A1894/0079484 (CAS 296246-88-3) is a chemical compound with molecular formula C18H17F3N2O5S and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-methoxyphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
Also Known As: A1894/0079484, N-[2-(3-methoxyphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide, N-[2-(3-methoxyphenoxy)ethyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetamide, 2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-N-[2-(3-methoxyphenoxy)ethyl]acetamide, N-[2-(3-methoxyphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenylthio]acetami de
| Molecular Formula | C18H17F3N2O5S |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 3.9095 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 430.08102 |
| Heavy Atoms | 29 |
| Complexity | 876.81537 |
Chemical Identifiers
| CAS Number | 296246-88-3 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OCCNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
A1894/0079484 (CAS 296246-88-3), with molecular formula C18H17F3N2O5S and molecular weight 430.08 g/mol. IUPAC: N-[2-(3-methoxyphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide.
Chemical Property Profile of A1894/0079484
Property Insights of A1894/0079484
The XLogP value of 3.9095 indicates that A1894/0079484 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A1894/0079484. Following Lipinski's Rule of Five, A1894/0079484 has 1 hydrogen bond donor(s) and 6 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 A1894/0079484?
The CAS number of A1894/0079484 is 296246-88-3.
What is the molecular formula of A1894/0079484?
The molecular formula of A1894/0079484 is C18H17F3N2O5S.
What is the molecular weight of A1894/0079484?
The molecular weight of A1894/0079484 is 430.08 g/mol.
Where can I buy A1894/0079484?
You can request a quote for A1894/0079484 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1894/0079484?
Yes, KEHONG BIO provides custom synthesis services for A1894/0079484 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.