Etravirine impurity 4
TL;DR: Etravirine impurity 4 (CAS 269055-19-8) is a chemical compound with molecular formula C20H15ClN6O and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-amino-5-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
Also Known As: Etravirine impurity 4, Etravirine Impurity 1, Etravirine Iimpurity 9, Etravirine Impurity 13, Etravirine Chloro Impurity
| Molecular Formula | C20H15ClN6O |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.6083 |
| Topological Polar Surface Area | 120.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.09958 |
| Heavy Atoms | 28 |
| Complexity | 1106.1536 |
Chemical Identifiers
| CAS Number | 269055-19-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC2=NC(=NC(=C2Cl)N)NC3=CC=C(C=C3)C#N)C)C#N |
Product Overview
Etravirine impurity 4 (CAS 269055-19-8), with molecular formula C20H15ClN6O and molecular weight 390.10 g/mol. IUPAC: 4-[6-amino-5-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile.
Chemical Property Profile of Etravirine impurity 4
Property Insights of Etravirine impurity 4
The XLogP value of 4.6083 indicates that Etravirine impurity 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Etravirine impurity 4. Following Lipinski's Rule of Five, Etravirine impurity 4 has 2 hydrogen bond donor(s) and 7 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 4?
The CAS number of Etravirine impurity 4 is 269055-19-8.
What is the molecular formula of Etravirine impurity 4?
The molecular formula of Etravirine impurity 4 is C20H15ClN6O.
What is the molecular weight of Etravirine impurity 4?
The molecular weight of Etravirine impurity 4 is 390.10 g/mol.
Where can I buy Etravirine impurity 4?
You can request a quote for Etravirine impurity 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etravirine impurity 4?
Yes, KEHONG BIO provides custom synthesis services for Etravirine impurity 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.