Exaprolol Hydrochloride
TL;DR: Exaprolol Hydrochloride (CAS 59333-90-3) is a chemical compound with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyclohexylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
Also Known As: Exaprolol hydrochloride, Exaprolol HCl, exaprolol, VULM 111 hydrochloride, Exaprolol hydrochloride [USAN]
| Molecular Formula | C18H30ClNO2 |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | 3.89 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.1965 |
| Heavy Atoms | 22 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 59333-90-3 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC=C1C2CCCCC2)O.Cl |
| InChIKey | ODWXZMXQBDEIBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exaprolol Hydrochloride (CAS 59333-90-3), with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol. IUPAC: 1-(2-cyclohexylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
Chemical Property Profile of Exaprolol Hydrochloride
Property Insights of Exaprolol Hydrochloride
The XLogP value of 3.89 indicates that Exaprolol Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Exaprolol Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Exaprolol Hydrochloride has 3 hydrogen bond donor(s) and 3 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 Exaprolol Hydrochloride?
The CAS number of Exaprolol Hydrochloride is 59333-90-3.
What is the molecular formula of Exaprolol Hydrochloride?
The molecular formula of Exaprolol Hydrochloride is C18H30ClNO2.
What is the molecular weight of Exaprolol Hydrochloride?
The molecular weight of Exaprolol Hydrochloride is 327.20 g/mol.
Where can I buy Exaprolol Hydrochloride?
You can request a quote for Exaprolol Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exaprolol Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Exaprolol Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.