1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 601465-58-1) is a chemical compound with molecular formula C21H23NO2S and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Also Known As: 1-benzothiophen-3-yl-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline, 1-(1-benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline, ISOQUINOLINE, 1-BENZO[B]THIEN-3-YL-6,7-DIETHOXY-1,2,3,4-TETRAHYDRO-, Isoquinoline, 1-benzo[b]thien-3-yl-6,7-diethoxy-1,2,3,4-tetrahydro- (9CI)
| Molecular Formula | C21H23NO2S |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 4.9338 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.14496 |
| Heavy Atoms | 25 |
| Complexity | 886.73346 |
Chemical Identifiers
| CAS Number | 601465-58-1 |
|---|---|
| SMILES | CCOC1=C(C=C2C(NCCC2=C1)C3=CSC4=CC=CC=C43)OCC |
Product Overview
1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 601465-58-1), with molecular formula C21H23NO2S and molecular weight 353.14 g/mol. IUPAC: 1-(1-benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 4.9338 indicates that 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-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 30.49 Ų, 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline 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 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is 601465-58-1.
What is the molecular formula of 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is C21H23NO2S.
What is the molecular weight of 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline is 353.14 g/mol.
Where can I buy 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-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 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzothiophen-3-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.