Tivirapine
TL;DR: Tivirapine (CAS 257891-65-9) is a chemical compound with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-2-thione
Also Known As: Tivirapine, HIV-1 inhibitor-69, TERT-IN-1, 5-Chloro-8-methyl-7-(3-methylbut-2-en-1-yl)-6,7,8,9-tetrahydro-2,7,9a-triazabenzo[cd]azulene-1(2H)-thione, chloro-methyl-(3-methylbut-2-enyl)[?]thione
| Molecular Formula | C16H20ClN3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 4.52259 |
| Topological Polar Surface Area | 23.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.10666 |
| Heavy Atoms | 21 |
| Complexity | 767.65546 |
Chemical Identifiers
| CAS Number | 257891-65-9 |
|---|---|
| SMILES | CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)Cl)NC2=S |
Product Overview
Tivirapine (CAS 257891-65-9), with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol. IUPAC: 7-chloro-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene-2-thione.
Chemical Property Profile of Tivirapine
Property Insights of Tivirapine
The XLogP value of 4.52259 indicates that Tivirapine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.96 Ų, Tivirapine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tivirapine has 1 hydrogen bond donor(s) and 2 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 Tivirapine?
The CAS number of Tivirapine is 257891-65-9.
What is the molecular formula of Tivirapine?
The molecular formula of Tivirapine is C16H20ClN3S.
What is the molecular weight of Tivirapine?
The molecular weight of Tivirapine is 321.11 g/mol.
Where can I buy Tivirapine?
You can request a quote for Tivirapine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tivirapine?
Yes, KEHONG BIO provides custom synthesis services for Tivirapine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.