(RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole
TL;DR: (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole (CAS 76953-83-8) is a chemical compound with molecular formula C21H19N3S and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylisoquinolin-6-yl)-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine
Also Known As: (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole, 5-Isoquinolinamine, 3-methyl-N-(3,4,4a,5-tetrahydro-1H-(1,3)thiazino(3,4-a)indol-1-ylidene)-, (+-)-, N-(3-methylisoquinolin-6-yl)-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine
| Molecular Formula | C21H19N3S |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 5.09892 |
| Topological Polar Surface Area | 28.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.12997 |
| Heavy Atoms | 25 |
| Complexity | 995.35266 |
Chemical Identifiers
| CAS Number | 76953-83-8 |
|---|---|
| SMILES | CC1=CC2=C(C=CC(=C2)N=C3N4C(CCS3)CC5=CC=CC=C54)C=N1 |
Product Overview
(RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole (CAS 76953-83-8), with molecular formula C21H19N3S and molecular weight 345.13 g/mol. IUPAC: N-(3-methylisoquinolin-6-yl)-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine.
Chemical Property Profile of (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole
Property Insights of (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole
The XLogP value of 5.09892 indicates that (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.49 Ų, (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
The CAS number of (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole is 76953-83-8.
What is the molecular formula of (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
The molecular formula of (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole is C21H19N3S.
What is the molecular weight of (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
The molecular weight of (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole is 345.13 g/mol.
Where can I buy (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
You can request a quote for (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
Yes, KEHONG BIO provides custom synthesis services for (RS)-4-((3-Methylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.