维纳卡兰
TL;DR: 维纳卡兰 (CAS 794466-70-9) is a chemical compound with molecular formula C20H31NO4 and molecular weight 349.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
维纳卡兰
(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
Also Known As: Vernakalant, Vemakalant, Brinavess, vernakalantum, Vernakalant HCl
| Molecular Formula | C20H31NO4 |
|---|---|
| Molecular Weight | 349.23 g/mol |
| LogP | 2.6407 |
| Topological Polar Surface Area | 51.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.2253 |
| Heavy Atoms | 25 |
| Complexity | 550.49774 |
Chemical Identifiers
| CAS Number | 794466-70-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC |
Product Overview
维纳卡兰 (CAS 794466-70-9), with molecular formula C20H31NO4 and molecular weight 349.23 g/mol. IUPAC: (3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol.
Chemical Property Profile of 维纳卡兰
Property Insights of 维纳卡兰
The XLogP value of 2.6407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 维纳卡兰. With a topological polar surface area (TPSA) of 51.16 Ų, 维纳卡兰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 维纳卡兰 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 维纳卡兰?
The CAS number of 维纳卡兰 is 794466-70-9.
What is the molecular formula of 维纳卡兰?
The molecular formula of 维纳卡兰 is C20H31NO4.
What is the molecular weight of 维纳卡兰?
The molecular weight of 维纳卡兰 is 349.23 g/mol.
Where can I buy 维纳卡兰?
You can request a quote for 维纳卡兰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 维纳卡兰?
Yes, KEHONG BIO provides custom synthesis services for 维纳卡兰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.