(+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine
TL;DR: (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine (CAS 76953-85-0) is a chemical compound with molecular formula C20H17N3S and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-isoquinolin-6-yl-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine
Also Known As: (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine, (RS)-4-(Isoquinol-5-ylimino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole, 5-Isoquinolinamine, N-(3,4,4a,5-tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-, (+-)-, N-isoquinolin-6-yl-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine
| Molecular Formula | C20H17N3S |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 4.7905 |
| Topological Polar Surface Area | 28.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.11432 |
| Heavy Atoms | 24 |
| Complexity | 950.2767 |
Chemical Identifiers
| CAS Number | 76953-85-0 |
|---|---|
| SMILES | C1CSC(=NC2=CC3=C(C=C2)C=NC=C3)N4C1CC5=CC=CC=C54 |
Product Overview
(+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine (CAS 76953-85-0), with molecular formula C20H17N3S and molecular weight 331.11 g/mol. IUPAC: N-isoquinolin-6-yl-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine.
Chemical Property Profile of (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine
Property Insights of (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine
The XLogP value of 4.7905 indicates that (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.49 Ų, (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine has 0 hydrogen bond donor(s) and 3 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 (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine?
The CAS number of (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine is 76953-85-0.
What is the molecular formula of (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine?
The molecular formula of (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine is C20H17N3S.
What is the molecular weight of (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine?
The molecular weight of (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine is 331.11 g/mol.
Where can I buy (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine?
You can request a quote for (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine?
Yes, KEHONG BIO provides custom synthesis services for (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5-isoquinolinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.