(RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole
TL;DR: (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole (CAS 76953-87-2) is a chemical compound with molecular formula C23H23N3OS and molecular weight 389.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(ethoxymethyl)isoquinolin-6-yl]-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine
Also Known As: (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole, 5-Isoquinolinamine, 3-(ethoxymethyl)-N-(3,4,4a,5-tetrahydro-1H-(1,3)thiazino(3,4-a)indol-1-ylidene)-, (+-)-, N-[3-(ethoxymethyl)isoquinolin-6-yl]-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine
| Molecular Formula | C23H23N3OS |
|---|---|
| Molecular Weight | 389.16 g/mol |
| LogP | 5.327 |
| Topological Polar Surface Area | 37.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1562 |
| Heavy Atoms | 28 |
| Complexity | 1048.9518 |
Chemical Identifiers
| CAS Number | 76953-87-2 |
|---|---|
| SMILES | CCOCC1=NC=C2C=CC(=CC2=C1)N=C3N4C(CCS3)CC5=CC=CC=C54 |
Product Overview
(RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole (CAS 76953-87-2), with molecular formula C23H23N3OS and molecular weight 389.16 g/mol. IUPAC: N-[3-(ethoxymethyl)isoquinolin-6-yl]-3,4,4a,5-tetrahydro-[1,3]thiazino[3,4-a]indol-1-imine.
Chemical Property Profile of (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole
Property Insights of (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole
The XLogP value of 5.327 indicates that (RS)-4-((3-Ethoxymethylisoquinol-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 37.72 Ų, (RS)-4-((3-Ethoxymethylisoquinol-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-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole has 0 hydrogen bond donor(s) and 4 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-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
The CAS number of (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole is 76953-87-2.
What is the molecular formula of (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
The molecular formula of (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole is C23H23N3OS.
What is the molecular weight of (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
The molecular weight of (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole is 389.16 g/mol.
Where can I buy (RS)-4-((3-Ethoxymethylisoquinol-5-yl)imino)-1,2,10,10a-tetrahydro(1,3-thiazino)(3,4-a)indole?
You can request a quote for (RS)-4-((3-Ethoxymethylisoquinol-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-Ethoxymethylisoquinol-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-Ethoxymethylisoquinol-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.