盐酸异克舒令
TL;DR: 盐酸异克舒令 (CAS 579-56-6) is a chemical compound with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
盐酸异克舒令
4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;hydrochloride
Also Known As: Isoxsuprine hydrochloride, Duvadilan, Isoxsuprine HCl, Suprilent, Vasodilan
| Molecular Formula | C18H24ClNO3 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 3.29 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.14447 |
| Heavy Atoms | 23 |
| Complexity | 299.0 |
| Melting Point | 203-204 °C |
| Solubility | Soluble in ethanol |
| Refractive Index | INDICES OF REFRACTION; ALPHA 1.508; BETA 1.648; GAMMA 1.670 |
Chemical Identifiers
| CAS Number | 579-56-6 |
|---|---|
| SMILES | CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl |
| InChIKey | QVPSGVSNYPRFAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
盐酸异克舒令 (CAS 579-56-6), with molecular formula C18H24ClNO3 and molecular weight 337.14 g/mol. IUPAC: 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;hydrochloride.
Chemical Property Profile of 盐酸异克舒令
Property Insights of 盐酸异克舒令
The XLogP value of 3.29 indicates that 盐酸异克舒令 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 盐酸异克舒令. Following Lipinski's Rule of Five, 盐酸异克舒令 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 盐酸异克舒令?
The CAS number of 盐酸异克舒令 is 579-56-6.
What is the molecular formula of 盐酸异克舒令?
The molecular formula of 盐酸异克舒令 is C18H24ClNO3.
What is the molecular weight of 盐酸异克舒令?
The molecular weight of 盐酸异克舒令 is 337.14 g/mol.
Where can I buy 盐酸异克舒令?
You can request a quote for 盐酸异克舒令 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸异克舒令?
Yes, KEHONG BIO provides custom synthesis services for 盐酸异克舒令 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.