异他林
TL;DR: 异他林 (CAS 530-08-5) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异他林
4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol
Also Known As: isoetharine, Isoetarine, Dilabron, Etyprenaline, Isoetarin
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
| Solubility | Appreciable |
Chemical Identifiers
| CAS Number | 530-08-5 |
|---|---|
| SMILES | CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C |
| InChIKey | HUYWAWARQUIQLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异他林 (CAS 530-08-5), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol.
Chemical Property Profile of 异他林
Property Insights of 异他林
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异他林. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 异他林. Following Lipinski's Rule of Five, 異他林 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 異他林?
The CAS number of 異他林 is 530-08-5.
What is the molecular formula of 異他林?
The molecular formula of 異他林 is C13H21NO3.
What is the molecular weight of 異他林?
The molecular weight of 異他林 is 239.15 g/mol.
Where can I buy 異他林?
You can request a quote for 異他林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 異他林?
Yes, KEHONG BIO provides custom synthesis services for 異他林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.