Dapivirine
TL;DR: Dapivirine (CAS 28399-82-8) is a chemical compound with molecular formula C20H19N5 and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Also Known As: Dapivirine, dapivirinum, Dapivirine (TMC120), Dapivirina, TMC120
| Molecular Formula | C20H19N5 |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.16403 |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 28399-82-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C |
| InChIKey | ILAYIAGXTHKHNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dapivirine (CAS 28399-82-8), with molecular formula C20H19N5 and molecular weight 329.16 g/mol. IUPAC: 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile.
Chemical Property Profile of Dapivirine
Property Insights of Dapivirine
The XLogP value of 4.8 indicates that Dapivirine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dapivirine. Following Lipinski's Rule of Five, Dapivirine has 2 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 Dapivirine?
The CAS number of Dapivirine is 28399-82-8.
What is the molecular formula of Dapivirine?
The molecular formula of Dapivirine is C20H19N5.
What is the molecular weight of Dapivirine?
The molecular weight of Dapivirine is 329.16 g/mol.
Where can I buy Dapivirine?
You can request a quote for Dapivirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dapivirine?
Yes, KEHONG BIO provides custom synthesis services for Dapivirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.