Etravirine impurity 5
TL;DR: Etravirine impurity 5 (CAS 269055-04-1) is a chemical compound with molecular formula C20H14BrN5O and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
Also Known As: Etravirine impurity 5, Etravirine Impurity 14, Etravirine Desamino Impurity, R-157753, J1.588.787G
| Molecular Formula | C20H14BrN5O |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.03818 |
| Heavy Atoms | 27 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 269055-04-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C#N)C)C#N |
| InChIKey | GNELAKVSOPMFKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etravirine impurity 5 (CAS 269055-04-1), with molecular formula C20H14BrN5O and molecular weight 419.04 g/mol. IUPAC: 4-[5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile.
Chemical Property Profile of Etravirine impurity 5
Property Insights of Etravirine impurity 5
The XLogP value of 4.8 indicates that Etravirine impurity 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Etravirine impurity 5. Following Lipinski's Rule of Five, Etravirine impurity 5 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 Etravirine impurity 5?
The CAS number of Etravirine impurity 5 is 269055-04-1.
What is the molecular formula of Etravirine impurity 5?
The molecular formula of Etravirine impurity 5 is C20H14BrN5O.
What is the molecular weight of Etravirine impurity 5?
The molecular weight of Etravirine impurity 5 is 419.04 g/mol.
Where can I buy Etravirine impurity 5?
You can request a quote for Etravirine impurity 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etravirine impurity 5?
Yes, KEHONG BIO provides custom synthesis services for Etravirine impurity 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.