阿地洛尔
TL;DR: 阿地洛尔 (CAS 78459-19-5) is a chemical compound with molecular formula C25H29N3O3 and molecular weight 419.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿地洛尔
3-[3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-methylbutyl]-1H-benzimidazol-2-one
Also Known As: Adimolol, Adimololum, Adimolol [INN], Adimololum [Latin], Adimolol (free base)
| Molecular Formula | C25H29N3O3 |
|---|---|
| Molecular Weight | 419.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.2209 |
| Heavy Atoms | 31 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 78459-19-5 |
|---|---|
| SMILES | CC(C)(CCN1C2=CC=CC=C2NC1=O)NCC(COC3=CC=CC4=CC=CC=C43)O |
| InChIKey | YWRIUGFSIQMHJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿地洛尔 (CAS 78459-19-5), with molecular formula C25H29N3O3 and molecular weight 419.22 g/mol. IUPAC: 3-[3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-methylbutyl]-1H-benzimidazol-2-one.
Chemical Property Profile of 阿地洛尔
Property Insights of 阿地洛尔
The XLogP value of 3.6 indicates that 阿地洛尔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿地洛尔. Following Lipinski's Rule of Five, 阿地洛尔 has 3 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 阿地洛尔?
The CAS number of 阿地洛尔 is 78459-19-5.
What is the molecular formula of 阿地洛尔?
The molecular formula of 阿地洛尔 is C25H29N3O3.
What is the molecular weight of 阿地洛尔?
The molecular weight of 阿地洛尔 is 419.22 g/mol.
Where can I buy 阿地洛尔?
You can request a quote for 阿地洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿地洛尔?
Yes, KEHONG BIO provides custom synthesis services for 阿地洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.