希苯洛尔
TL;DR: 希苯洛尔 (CAS 81584-06-7) is a chemical compound with molecular formula C15H25NO2 and molecular weight 251.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
希苯洛尔
1-(tert-butylamino)-3-(2,3-dimethylphenoxy)propan-2-ol
Also Known As: Xibenolol, Xibenololum, Xibenolol [INN], XIBENOLOL [MI], 4-Butyl-3-thiosemicarbazide
| Molecular Formula | C15H25NO2 |
|---|---|
| Molecular Weight | 251.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.18852 |
| Heavy Atoms | 18 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 81584-06-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C |
| InChIKey | RKUQLAPSGZJLGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
希苯洛尔 (CAS 81584-06-7), with molecular formula C15H25NO2 and molecular weight 251.19 g/mol. IUPAC: 1-(tert-butylamino)-3-(2,3-dimethylphenoxy)propan-2-ol.
Chemical Property Profile of 希苯洛尔
Property Insights of 希苯洛尔
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 希苯洛尔. With a topological polar surface area (TPSA) of 41.5 Ų, 希苯洛尔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 希苯洛尔 has 2 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 希苯洛尔?
The CAS number of 希苯洛尔 is 81584-06-7.
What is the molecular formula of 希苯洛尔?
The molecular formula of 希苯洛尔 is C15H25NO2.
What is the molecular weight of 希苯洛尔?
The molecular weight of 希苯洛尔 is 251.19 g/mol.
Where can I buy 希苯洛尔?
You can request a quote for 希苯洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 希苯洛尔?
Yes, KEHONG BIO provides custom synthesis services for 希苯洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.