(S,S,S,S)-Nebivolol
TL;DR: (S,S,S,S)-Nebivolol (CAS 118457-16-2) is a chemical compound with molecular formula C22H25F2NO4 and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
Also Known As: Levonebivolol, Nebivolol, (-)-Nebivolol, SSSS-Nebivolol, (S,S,S,S)-Nebivolol
| Molecular Formula | C22H25F2NO4 |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.17517 |
| Heavy Atoms | 29 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 118457-16-2 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)F)O[C@@H]1[C@H](CNC[C@@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O |
| InChIKey | KOHIRBRYDXPAMZ-GPHNJDIKSA-N |
Product Overview
(S,S,S,S)-Nebivolol (CAS 118457-16-2), with molecular formula C22H25F2NO4 and molecular weight 405.18 g/mol. IUPAC: (1S)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol.
Chemical Property Profile of (S,S,S,S)-Nebivolol
Property Insights of (S,S,S,S)-Nebivolol
The XLogP value of 3.0 indicates that (S,S,S,S)-Nebivolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S,S,S,S)-Nebivolol. Following Lipinski's Rule of Five, (S,S,S,S)-Nebivolol has 3 hydrogen bond donor(s) and 7 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 (S,S,S,S)-Nebivolol?
The CAS number of (S,S,S,S)-Nebivolol is 118457-16-2.
What is the molecular formula of (S,S,S,S)-Nebivolol?
The molecular formula of (S,S,S,S)-Nebivolol is C22H25F2NO4.
What is the molecular weight of (S,S,S,S)-Nebivolol?
The molecular weight of (S,S,S,S)-Nebivolol is 405.18 g/mol.
Where can I buy (S,S,S,S)-Nebivolol?
You can request a quote for (S,S,S,S)-Nebivolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S,S,S,S)-Nebivolol?
Yes, KEHONG BIO provides custom synthesis services for (S,S,S,S)-Nebivolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.