Labetalol, (S,S)-
TL;DR: Labetalol, (S,S)- (CAS 75659-07-3) is a chemical compound with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]benzamide
Also Known As: S,S-Labetalol, labetalol, Dilevalol, (S,S)-labetalol, Labetalol, (S,S)-
| Molecular Formula | C19H24N2O3 |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.17868 |
| Heavy Atoms | 24 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 75659-07-3 |
|---|---|
| SMILES | C[C@@H](CCC1=CC=CC=C1)NC[C@H](C2=CC(=C(C=C2)O)C(=O)N)O |
| InChIKey | SGUAFYQXFOLMHL-SCLBCKFNSA-N |
Product Overview
Labetalol, (S,S)- (CAS 75659-07-3), with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol. IUPAC: 2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]benzamide.
Chemical Property Profile of Labetalol, (S,S)-
Property Insights of Labetalol, (S,S)-
The XLogP value of 3.1 indicates that Labetalol, (S,S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Labetalol, (S,S)-. Following Lipinski's Rule of Five, Labetalol, (S,S)- has 4 hydrogen bond donor(s) and 4 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 Labetalol, (S,S)-?
The CAS number of Labetalol, (S,S)- is 75659-07-3.
What is the molecular formula of Labetalol, (S,S)-?
The molecular formula of Labetalol, (S,S)- is C19H24N2O3.
What is the molecular weight of Labetalol, (S,S)-?
The molecular weight of Labetalol, (S,S)- is 328.18 g/mol.
Where can I buy Labetalol, (S,S)-?
You can request a quote for Labetalol, (S,S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Labetalol, (S,S)-?
Yes, KEHONG BIO provides custom synthesis services for Labetalol, (S,S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.