Xibenolol hydrochloride
TL;DR: Xibenolol hydrochloride (CAS 59708-57-5) is a chemical compound with molecular formula C15H26ClNO2 and molecular weight 287.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butylamino)-3-(2,3-dimethylphenoxy)propan-2-ol;hydrochloride
Also Known As: Xibenolol hydrochloride, Xibenolol.HCl, SELAPIN, XIBENOLOL HYDROCHLODE, D-32
| Molecular Formula | C15H26ClNO2 |
|---|---|
| Molecular Weight | 287.17 g/mol |
| LogP | 2.85304 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.1652 |
| Heavy Atoms | 19 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 59708-57-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C.Cl |
| InChIKey | ZNEAHTMGASMSKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xibenolol hydrochloride (CAS 59708-57-5), with molecular formula C15H26ClNO2 and molecular weight 287.17 g/mol. IUPAC: 1-(tert-butylamino)-3-(2,3-dimethylphenoxy)propan-2-ol;hydrochloride.
Chemical Property Profile of Xibenolol hydrochloride
Property Insights of Xibenolol hydrochloride
The XLogP value of 2.85304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xibenolol hydrochloride. With a topological polar surface area (TPSA) of 41.5 Ų, Xibenolol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xibenolol 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 Xibenolol hydrochloride?
The CAS number of Xibenolol hydrochloride is 59708-57-5.
What is the molecular formula of Xibenolol hydrochloride?
The molecular formula of Xibenolol hydrochloride is C15H26ClNO2.
What is the molecular weight of Xibenolol hydrochloride?
The molecular weight of Xibenolol hydrochloride is 287.17 g/mol.
Where can I buy Xibenolol hydrochloride?
You can request a quote for Xibenolol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xibenolol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Xibenolol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.