Varenicline tartrate
TL;DR: Varenicline tartrate (CAS 2251-88-9) is a chemical compound with molecular formula C22H27FO4 and molecular weight 374.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-8,11,12,14,15,16-hexahydrocyclopenta[a]phenanthren-3-one
Also Known As: Varenicline tartrate, KST-1A3203, (11, A)-9-fluoro-11,17-dihydroxy-6-methylpregna-1,4,6-triene-3,20-dione, (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-8,11,12,14,15,16-hexahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C22H27FO4 |
|---|---|
| Molecular Weight | 374.19 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.18933 |
| Heavy Atoms | 27 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 2251-88-9 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O |
| InChIKey | VZDIQCCVBGYEMW-QWQRBHLCSA-N |
Product Overview
Varenicline tartrate (CAS 2251-88-9), with molecular formula C22H27FO4 and molecular weight 374.19 g/mol. IUPAC: (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-8,11,12,14,15,16-hexahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Varenicline tartrate
Property Insights of Varenicline tartrate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Varenicline tartrate. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Varenicline tartrate. Following Lipinski's Rule of Five, Varenicline tartrate 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 Varenicline tartrate?
The CAS number of Varenicline tartrate is 2251-88-9.
What is the molecular formula of Varenicline tartrate?
The molecular formula of Varenicline tartrate is C22H27FO4.
What is the molecular weight of Varenicline tartrate?
The molecular weight of Varenicline tartrate is 374.19 g/mol.
Where can I buy Varenicline tartrate?
You can request a quote for Varenicline tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Varenicline tartrate?
Yes, KEHONG BIO provides custom synthesis services for Varenicline tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.