Hydroxy Varenicline
TL;DR: Hydroxy Varenicline (CAS 357425-48-0) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),7,10-tetraen-6-one
Also Known As: Hydroxy Varenicline, HydroxyVarenicline, 2-Hydroxyvarenicline, Varenicline Impurity 9, Varenicline Impurity 30
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 1.0972 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 661.25244 |
Chemical Identifiers
| CAS Number | 357425-48-0 |
|---|---|
| SMILES | C1C2CNCC1C3=CC4=C(C=C23)NC(=O)C=N4 |
Product Overview
Hydroxy Varenicline (CAS 357425-48-0), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),7,10-tetraen-6-one.
Chemical Property Profile of Hydroxy Varenicline
Property Insights of Hydroxy Varenicline
The XLogP value of 1.0972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxy Varenicline. With a topological polar surface area (TPSA) of 57.78 Ų, Hydroxy Varenicline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxy Varenicline has 2 hydrogen bond donor(s) and 3 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 Hydroxy Varenicline?
The CAS number of Hydroxy Varenicline is 357425-48-0.
What is the molecular formula of Hydroxy Varenicline?
The molecular formula of Hydroxy Varenicline is C13H13N3O.
What is the molecular weight of Hydroxy Varenicline?
The molecular weight of Hydroxy Varenicline is 227.11 g/mol.
Where can I buy Hydroxy Varenicline?
You can request a quote for Hydroxy Varenicline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxy Varenicline?
Yes, KEHONG BIO provides custom synthesis services for Hydroxy Varenicline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.