4-Chloroisoprenaline
TL;DR: 4-Chloroisoprenaline (CAS 81542-87-2) is a chemical compound with molecular formula C11H16ClNO3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
Also Known As: p-Chloroisoprenaline, 4-Chloroisoprenaline, KST-1A8372, 6-Chlor-alpha-(isopropylaminomethyl)-3,4-dihydroxybenzylalkohol, ( inverted exclamation markA)-4-chloro-5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol
| Molecular Formula | C11H16ClNO3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.08188 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 81542-87-2 |
|---|---|
| SMILES | CC(C)NCC(C1=CC(=C(C=C1Cl)O)O)O |
| InChIKey | LOHHKIQTTXIBGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloroisoprenaline (CAS 81542-87-2), with molecular formula C11H16ClNO3 and molecular weight 245.08 g/mol. IUPAC: 4-chloro-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol.
Chemical Property Profile of 4-Chloroisoprenaline
Property Insights of 4-Chloroisoprenaline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloroisoprenaline. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloroisoprenaline. Following Lipinski's Rule of Five, 4-Chloroisoprenaline has 4 hydrogen bond donor(s) and 4 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 4-Chloroisoprenaline?
The CAS number of 4-Chloroisoprenaline is 81542-87-2.
What is the molecular formula of 4-Chloroisoprenaline?
The molecular formula of 4-Chloroisoprenaline is C11H16ClNO3.
What is the molecular weight of 4-Chloroisoprenaline?
The molecular weight of 4-Chloroisoprenaline is 245.08 g/mol.
Where can I buy 4-Chloroisoprenaline?
You can request a quote for 4-Chloroisoprenaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloroisoprenaline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloroisoprenaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.