A1850/0077890
TL;DR: A1850/0077890 (CAS 312316-96-4) is a chemical compound with molecular formula C18H17F3N2O4S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-methylphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
Also Known As: A1850/0077890, N-[2-(3-methylphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide, N-[2-(3-methylphenoxy)ethyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetamide, N-[2-(3-methylphenoxy)ethyl]-2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}acetamide
| Molecular Formula | C18H17F3N2O4S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 4.20932 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.08612 |
| Heavy Atoms | 28 |
| Complexity | 858.9646 |
Chemical Identifiers
| CAS Number | 312316-96-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
A1850/0077890 (CAS 312316-96-4), with molecular formula C18H17F3N2O4S and molecular weight 414.09 g/mol. IUPAC: N-[2-(3-methylphenoxy)ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide.
Chemical Property Profile of A1850/0077890
Property Insights of A1850/0077890
The XLogP value of 4.20932 indicates that A1850/0077890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A1850/0077890. Following Lipinski's Rule of Five, A1850/0077890 has 1 hydrogen bond donor(s) and 5 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 A1850/0077890?
The CAS number of A1850/0077890 is 312316-96-4.
What is the molecular formula of A1850/0077890?
The molecular formula of A1850/0077890 is C18H17F3N2O4S.
What is the molecular weight of A1850/0077890?
The molecular weight of A1850/0077890 is 414.09 g/mol.
Where can I buy A1850/0077890?
You can request a quote for A1850/0077890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1850/0077890?
Yes, KEHONG BIO provides custom synthesis services for A1850/0077890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.