Vernakalant Hydrochloride
TL;DR: Vernakalant Hydrochloride (CAS 605683-48-5) is a chemical compound with molecular formula C20H32ClNO4 and molecular weight 385.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
Also Known As: Vernakalant hydrochloride, Vernakalant HCl, Brinavess, Kynapid, Vernakalant (Hydrochloride)
| Molecular Formula | C20H32ClNO4 |
|---|---|
| Molecular Weight | 385.20 g/mol |
| LogP | 3.0625 |
| Topological Polar Surface Area | 51.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.202 |
| Heavy Atoms | 26 |
| Complexity | 556.61273 |
Chemical Identifiers
| CAS Number | 605683-48-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC.Cl |
Product Overview
Vernakalant Hydrochloride (CAS 605683-48-5), with molecular formula C20H32ClNO4 and molecular weight 385.20 g/mol. IUPAC: (3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride.
Chemical Property Profile of Vernakalant Hydrochloride
Property Insights of Vernakalant Hydrochloride
The XLogP value of 3.0625 indicates that Vernakalant Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.16 Ų, Vernakalant Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vernakalant Hydrochloride has 1 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 Vernakalant Hydrochloride?
The CAS number of Vernakalant Hydrochloride is 605683-48-5.
What is the molecular formula of Vernakalant Hydrochloride?
The molecular formula of Vernakalant Hydrochloride is C20H32ClNO4.
What is the molecular weight of Vernakalant Hydrochloride?
The molecular weight of Vernakalant Hydrochloride is 385.20 g/mol.
Where can I buy Vernakalant Hydrochloride?
You can request a quote for Vernakalant Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vernakalant Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Vernakalant Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.