氯拉洛尔
TL;DR: 氯拉洛尔 (CAS 39563-28-5) is a chemical compound with molecular formula C13H19Cl2NO2 and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯拉洛尔
1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol
Also Known As: Cloranolol, chloranolol, Tobanum, Cloranololum, Chloranolol-d9
| Molecular Formula | C13H19Cl2NO2 |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.07928 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 39563-28-5 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=C(C=CC(=C1)Cl)Cl)O |
| InChIKey | XYCMOTOFHFTUIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯拉洛尔 (CAS 39563-28-5), with molecular formula C13H19Cl2NO2 and molecular weight 291.08 g/mol. IUPAC: 1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol.
Chemical Property Profile of 氯拉洛尔
Property Insights of 氯拉洛尔
The XLogP value of 3.1 indicates that 氯拉洛尔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 氯拉洛尔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯拉洛尔 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 氯拉洛尔?
The CAS number of 氯拉洛尔 is 39563-28-5.
What is the molecular formula of 氯拉洛尔?
The molecular formula of 氯拉洛尔 is C13H19Cl2NO2.
What is the molecular weight of 氯拉洛尔?
The molecular weight of 氯拉洛尔 is 291.08 g/mol.
Where can I buy 氯拉洛尔?
You can request a quote for 氯拉洛尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯拉洛尔?
Yes, KEHONG BIO provides custom synthesis services for 氯拉洛尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.