2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)
TL;DR: 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) (CAS 4512-85-0) is a chemical compound with molecular formula C11H22BrNO and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-5-ol bromide
Also Known As: 5-Hydroxy-2-ethyl-decahydroisoquinoline hydrobromide, 5-ISOQUINOLINOL, DECAHYDRO-2-ETHYL-, HYDROBROMIDE, Decahydro-2-ethyl-5-hydroxyisoquinoline, hydrobromide, 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1), 2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-5-ol bromide
| Molecular Formula | C11H22BrNO |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | -2.92 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.08847 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 4512-85-0 |
|---|---|
| SMILES | CC[NH+]1CCC2C(C1)CCCC2O.[Br-] |
| InChIKey | YDSDATAMSXQVKT-UHFFFAOYSA-N |
Product Overview
2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) (CAS 4512-85-0), with molecular formula C11H22BrNO and molecular weight 263.09 g/mol. IUPAC: 2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-5-ol bromide.
Chemical Property Profile of 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)
Property Insights of 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)
The XLogP value of -2.92 indicates that 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) 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, 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) 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 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)?
The CAS number of 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) is 4512-85-0.
What is the molecular formula of 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)?
The molecular formula of 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) is C11H22BrNO.
What is the molecular weight of 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)?
The molecular weight of 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) is 263.09 g/mol.
Where can I buy 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)?
You can request a quote for 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyldecahydroisoquinolin-5-ol--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.