拉贝洛尔
TL;DR: 拉贝洛尔 (CAS 36894-69-6) 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.
拉贝洛尔
2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
Also Known As: labetalol, Labetolol, Ibidomide, Albetol, Labetalolum
| 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 |
| Melting Point | 188 |
| Boiling Point | 552.7 |
| Solubility | 5.78e-03 g/L |
Chemical Identifiers
| CAS Number | 36894-69-6 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O |
| InChIKey | SGUAFYQXFOLMHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
拉贝洛尔 (CAS 36894-69-6), with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol. IUPAC: 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.
Chemical Property Profile of 拉贝洛尔
Property Insights of 拉贝洛尔
The XLogP value of 3.1 indicates that 拉贝洛尔 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 拉贝洛尔. Following Lipinski's Rule of Five, 拉贝洛尔 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 拉贝洛尔?
The CAS number of 拉贝洛尔 is 36894-69-6.
What is the molecular formula of 拉贝洛尔?
The molecular formula of 拉贝洛尔 is C19H24N2O3.
What is the molecular weight of 拉贝洛尔?
The molecular weight of 拉贝洛尔 is 328.18 g/mol.
Where can I buy 拉贝洛尔?
You can request a quote for 拉贝洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 拉贝洛尔?
Yes, KEHONG BIO provides custom synthesis services for 拉贝洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.