![2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline structure](/static/products/3318/331856-06-5.webp)
2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 331856-06-5) is a chemical compound with molecular formula C14H14BrNS and molecular weight 307.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
Also Known As: 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, 2-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline, 2-[(4-bromo-2-thienyl)methyl]-1,2,3,4-tetrahydroisoquinoline, 2-[(4-bromo-2-thienyl)methyl]-3,4-dihydro-1H-isoquinoline, 2-((4-Bromothiophen-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C14H14BrNS |
|---|---|
| Molecular Weight | 307.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.00302 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 331856-06-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=CC(=CS3)Br |
| InChIKey | KAABBGCMZRLVRB-UHFFFAOYSA-N |
Product Overview
2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 331856-06-5), with molecular formula C14H14BrNS and molecular weight 307.00 g/mol. IUPAC: 2-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.7 indicates that 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has 0 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-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is 331856-06-5.
What is the molecular formula of 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is C14H14BrNS.
What is the molecular weight of 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is 307.00 g/mol.
Where can I buy 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.