Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide (CAS 36113-28-7) is a chemical compound with molecular formula C18H21BrFNO2 and molecular weight 381.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Also Known As: 6,7-Dimethoxy-1-(m-fluorobenzyl)-1,2,3,4-tetrahydroisoquinoline hydrobromide, Bromure de dimethoxy-6,7 tetrahydro-1,2,3,4 meta-fluorobenzyl-1 isoquinoleinium [French], ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-(m-FLUOROBENZYL)-, HYDROBROMIDE, 1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide, Bromure de dimethoxy-6,7 tetrahydro-1,2,3,4 meta-fluorobenzyl-1 isoquinoleinium
| Molecular Formula | C18H21BrFNO2 |
|---|---|
| Molecular Weight | 381.07 g/mol |
| LogP | -0.75 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.07397 |
| Heavy Atoms | 23 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 36113-28-7 |
|---|---|
| SMILES | COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC(=CC=C3)F)OC.[Br-] |
| InChIKey | BUQXDCZIRFULKC-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide (CAS 36113-28-7), with molecular formula C18H21BrFNO2 and molecular weight 381.07 g/mol. IUPAC: 1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide.
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide
The XLogP value of -0.75 indicates that Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.1 Ų, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide has 1 hydrogen bond donor(s) and 4 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 Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide is 36113-28-7.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide is C18H21BrFNO2.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide is 381.07 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.