5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide
TL;DR: 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide (CAS 4512-82-7) is a chemical compound with molecular formula C11H16BrNO and molecular weight 257.04 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-ol bromide
Also Known As: 5-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-2-ETHYL-, HYDROBROMIDE, 2-Ethyl-5-hydroxy-1,2,3,4-tetrahydroisoquinoline, hydrobromide, 2-ethyl-5-hydroxy-1,2,3,4-tetrahydroisoquinolinium bromide, 2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol bromide, 2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol,bromide
| Molecular Formula | C11H16BrNO |
|---|---|
| Molecular Weight | 257.04 g/mol |
| LogP | -2.64 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.04153 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 4512-82-7 |
|---|---|
| SMILES | CC[NH+]1CCC2=C(C1)C=CC=C2O.[Br-] |
| InChIKey | HHXJQWUXHSIFMY-UHFFFAOYSA-N |
Product Overview
5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide (CAS 4512-82-7), with molecular formula C11H16BrNO and molecular weight 257.04 g/mol. IUPAC: 2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol bromide.
Chemical Property Profile of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide
Property Insights of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide
The XLogP value of -2.64 indicates that 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, 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-, hydrobromide has 2 hydrogen bond donor(s) and 2 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-, hydrobromide?
The CAS number of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide is 4512-82-7.
What is the molecular formula of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide?
The molecular formula of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide is C11H16BrNO.
What is the molecular weight of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide?
The molecular weight of 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide is 257.04 g/mol.
Where can I buy 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide?
You can request a quote for 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, 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-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoquinolinol, 1,2,3,4-tetrahydro-2-ethyl-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.