ADAPROLOL MALEATE
TL;DR: ADAPROLOL MALEATE (CAS 121009-31-2) is a chemical compound with molecular formula C30H43NO8 and molecular weight 545.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate;but-2-enedioic acid
Also Known As: ADAPROLOL MALEATE, 2-(1-Adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate;but-2-enedioic acid
| Molecular Formula | C30H43NO8 |
|---|---|
| Molecular Weight | 545.30 g/mol |
| LogP | 3.83 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 545.2989 |
| Heavy Atoms | 39 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 121009-31-2 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)OCCC23CC4CC(C2)CC(C4)C3)O.C(=CC(=O)O)C(=O)O |
| InChIKey | WEBILLRFBZTUIX-UHFFFAOYSA-N |
Product Overview
ADAPROLOL MALEATE (CAS 121009-31-2), with molecular formula C30H43NO8 and molecular weight 545.30 g/mol. IUPAC: 2-(1-adamantyl)ethyl 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate;but-2-enedioic acid.
Chemical Property Profile of ADAPROLOL MALEATE
Property Insights of ADAPROLOL MALEATE
The XLogP value of 3.83 indicates that ADAPROLOL MALEATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting ADAPROLOL MALEATE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ADAPROLOL MALEATE has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ADAPROLOL MALEATE?
The CAS number of ADAPROLOL MALEATE is 121009-31-2.
What is the molecular formula of ADAPROLOL MALEATE?
The molecular formula of ADAPROLOL MALEATE is C30H43NO8.
What is the molecular weight of ADAPROLOL MALEATE?
The molecular weight of ADAPROLOL MALEATE is 545.30 g/mol.
Where can I buy ADAPROLOL MALEATE?
You can request a quote for ADAPROLOL MALEATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ADAPROLOL MALEATE?
Yes, KEHONG BIO provides custom synthesis services for ADAPROLOL MALEATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.