5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide
TL;DR: 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide (CAS 16232-81-8) is a chemical compound with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide
Also Known As: 5-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-2-ETHYL-, ACETATE, HYDROBROMIDE, 2-Ethyl-5-hydroxy-1,2,3,4-tetrahydroisoquinoline acetate, hydrobromide, 5-Acetoxy-2-ethyl-1,2,3,4-tetrahydroisoquinolinium bromide, (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide, 5-Isoquinolinol, 2-ethyl-1,2,3,4-tetrahydro-, acetate (ester), hydrobromide
| Molecular Formula | C13H18BrNO2 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | -2.42 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0521 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 16232-81-8 |
|---|---|
| SMILES | CC[NH+]1CCC2=C(C1)C=CC=C2OC(=O)C.[Br-] |
| InChIKey | FPEFARWGXDPLIZ-UHFFFAOYSA-N |
Product Overview
5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide (CAS 16232-81-8), with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol. IUPAC: (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide.
Chemical Property Profile of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide
Property Insights of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide
The XLogP value of -2.42 indicates that 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide has 1 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 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide?
The CAS number of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide is 16232-81-8.
What is the molecular formula of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide?
The molecular formula of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide is C13H18BrNO2.
What is the molecular weight of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide?
The molecular weight of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide is 299.05 g/mol.
Where can I buy 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide?
You can request a quote for 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, acetate, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.