Ent 25618
TL;DR: Ent 25618 (CAS 3567-95-1) is a chemical compound with molecular formula C13H8ClF3N2O2 and molecular weight 316.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-3-nitro-4-(trifluoromethyl)aniline
Also Known As: Bayer 31757, ENT 25618, ENT 25,618, N-(4-Chlorophenyl)-2-nitro-4-(trifluoromethyl)benzeneamine, Diphenylamine, 4'-chloro-3-nitro-4-(trifluoromethyl)-
| Molecular Formula | C13H8ClF3N2O2 |
|---|---|
| Molecular Weight | 316.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.02264 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 3567-95-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC(=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl |
| InChIKey | IWKCJXKVMRTEEJ-UHFFFAOYSA-N |
Product Overview
Ent 25618 (CAS 3567-95-1), with molecular formula C13H8ClF3N2O2 and molecular weight 316.02 g/mol. IUPAC: N-(4-chlorophenyl)-3-nitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of Ent 25618
Property Insights of Ent 25618
The XLogP value of 4.8 indicates that Ent 25618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, Ent 25618 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ent 25618 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 Ent 25618?
The CAS number of Ent 25618 is 3567-95-1.
What is the molecular formula of Ent 25618?
The molecular formula of Ent 25618 is C13H8ClF3N2O2.
What is the molecular weight of Ent 25618?
The molecular weight of Ent 25618 is 316.02 g/mol.
Where can I buy Ent 25618?
You can request a quote for Ent 25618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ent 25618?
Yes, KEHONG BIO provides custom synthesis services for Ent 25618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.