阿达洛尔
TL;DR: 阿达洛尔 (CAS 101479-70-3) is a chemical compound with molecular formula C26H39NO4 and molecular weight 429.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿达洛尔
2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate
Also Known As: Adaprolol, Adaprolol [INN], adaprololum, ADAPROLOL [WHO-DD], 2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate
| Molecular Formula | C26H39NO4 |
|---|---|
| Molecular Weight | 429.29 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 429.2879 |
| Heavy Atoms | 31 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 101479-70-3 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)OCCC23CC4CC(C2)CC(C4)C3)O |
| InChIKey | IPGLIOFIFLXLKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿达洛尔 (CAS 101479-70-3), with molecular formula C26H39NO4 and molecular weight 429.29 g/mol. IUPAC: 2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate.
Chemical Property Profile of 阿达洛尔
Property Insights of 阿达洛尔
The XLogP value of 5.0 indicates that 阿达洛尔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿达洛尔. Following Lipinski's Rule of Five, 阿达洛尔 has 2 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 阿达洛尔?
The CAS number of 阿达洛尔 is 101479-70-3.
What is the molecular formula of 阿达洛尔?
The molecular formula of 阿达洛尔 is C26H39NO4.
What is the molecular weight of 阿达洛尔?
The molecular weight of 阿达洛尔 is 429.29 g/mol.
Where can I buy 阿达洛尔?
You can request a quote for 阿达洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿达洛尔?
Yes, KEHONG BIO provides custom synthesis services for 阿达洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.