Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-
TL;DR: Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- (CAS 53462-74-1) is a chemical compound with molecular formula C14H12N2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-thiophen-2-yl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
Also Known As: 1,3,4,5-Tetrahydro-3-(2-thienyl)-pyrrolo(4,3,2-de)isoquinoline, Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-, 1,3,4,5-Tetrahydro-3-(2-thienyl)pyrrolo[4,3,2-de]isoquinoline, 3-thiophen-2-yl-1,3,4,5-tetrahydro-pyrrolo[4,3,2-de]isoquinoline, 3-(Thiophen-2-yl)-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline
| Molecular Formula | C14H12N2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 3.422 |
| Topological Polar Surface Area | 27.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.07211 |
| Heavy Atoms | 17 |
| Complexity | 666.6615 |
Chemical Identifiers
| CAS Number | 53462-74-1 |
|---|---|
| SMILES | C1C2=C3C(=CC=C2)NC=C3C(N1)C4=CC=CS4 |
Product Overview
Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- (CAS 53462-74-1), with molecular formula C14H12N2S and molecular weight 240.07 g/mol. IUPAC: 5-thiophen-2-yl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene.
Chemical Property Profile of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-
Property Insights of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-
The XLogP value of 3.422 indicates that Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.82 Ų, Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- has 2 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 Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-?
The CAS number of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- is 53462-74-1.
What is the molecular formula of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-?
The molecular formula of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- is C14H12N2S.
What is the molecular weight of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-?
The molecular weight of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- is 240.07 g/mol.
Where can I buy Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-?
You can request a quote for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.