Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- (CAS 180272-44-0) is a chemical compound with molecular formula C13H13NS and molecular weight 215.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-3-yl-1,2,3,4-tetrahydroisoquinoline
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-, 1-thiophen-3-yl-1,2,3,4-tetrahydroisoquinoline, 1,2,3,4-Tetrahydro-1-(3-thienyl)isoquinoline, 1-(Thiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C13H13NS |
|---|---|
| Molecular Weight | 215.08 g/mol |
| LogP | 2.9832 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.07687 |
| Heavy Atoms | 15 |
| Complexity | 447.31934 |
Chemical Identifiers
| CAS Number | 180272-44-0 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)C3=CSC=C3 |
Product Overview
Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- (CAS 180272-44-0), with molecular formula C13H13NS and molecular weight 215.08 g/mol. IUPAC: 1-thiophen-3-yl-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-
The XLogP value of 2.9832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-. With a topological polar surface area (TPSA) of 12.03 Ų, Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- has 1 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 Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- is 180272-44-0.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- is C13H13NS.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- is 215.08 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)-?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- 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-1-(3-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-1-(3-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.