3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
TL;DR: 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) (CAS 41958-56-9) is a chemical compound with molecular formula C16H18BrN and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Also Known As: Isoquinoline, 3-methyl-4-phenyl-1,2,3,4-tetrahydro-, hydrobromide, (E)-, (3S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide, trans-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrobromide, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-3-METHYL-4-PHENYL-, HYDROBROMIDE, (E)-, 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
| Molecular Formula | C16H18BrN |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | -0.71 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.06226 |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 41958-56-9 |
|---|---|
| SMILES | C[C@H]1C(C2=CC=CC=C2C[NH2+]1)C3=CC=CC=C3.[Br-] |
| InChIKey | VZPAJBOGYOZBIK-KQZUKLOFSA-N |
Product Overview
3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) (CAS 41958-56-9), with molecular formula C16H18BrN and molecular weight 303.06 g/mol. IUPAC: (3S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide.
Chemical Property Profile of 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
Property Insights of 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
The XLogP value of -0.71 indicates that 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--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 16.6 Ų, 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) has 1 hydrogen bond donor(s) and 1 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 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
The CAS number of 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) is 41958-56-9.
What is the molecular formula of 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
The molecular formula of 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) is C16H18BrN.
What is the molecular weight of 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
The molecular weight of 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) is 303.06 g/mol.
Where can I buy 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
You can request a quote for 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--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 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.