RefChem:293638
TL;DR: RefChem:293638 (CAS 103607-59-6) is a chemical compound with molecular formula C16H24ClN3O2 and molecular weight 325.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
Also Known As: 4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-(2-hydroxy-3-(1-methylethyl)amino)propoxy)-,monohydrochloride, [3-[(4-Cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-2-hydroxypropyl]-propan-2-ylazaniumchloride, [3-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium, 4-ISOQUINOLINECARBONITRILE, 5,6,7,8-TETRAHYDRO-3-(2-HYDROXY-3-(1-METHYLETHYL)AMI, [3-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
| Molecular Formula | C16H24ClN3O2 |
|---|---|
| Molecular Weight | 325.16 g/mol |
| LogP | -2.45 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.1557 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 103607-59-6 |
|---|---|
| SMILES | CC(C)[NH2+]CC(COC1=NC=C2CCCCC2=C1C#N)O.[Cl-] |
| InChIKey | PDRJNZSWMMQTGV-UHFFFAOYSA-N |
Product Overview
RefChem:293638 (CAS 103607-59-6), with molecular formula C16H24ClN3O2 and molecular weight 325.16 g/mol. IUPAC: [3-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-2-hydroxypropyl]-propan-2-ylazanium chloride.
Chemical Property Profile of RefChem:293638
Property Insights of RefChem:293638
The XLogP value of -2.45 indicates that RefChem:293638 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:293638. Following Lipinski's Rule of Five, RefChem:293638 has 2 hydrogen bond donor(s) and 5 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 RefChem:293638?
The CAS number of RefChem:293638 is 103607-59-6.
What is the molecular formula of RefChem:293638?
The molecular formula of RefChem:293638 is C16H24ClN3O2.
What is the molecular weight of RefChem:293638?
The molecular weight of RefChem:293638 is 325.16 g/mol.
Where can I buy RefChem:293638?
You can request a quote for RefChem:293638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:293638?
Yes, KEHONG BIO provides custom synthesis services for RefChem:293638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.