5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-
TL;DR: 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- (CAS 77195-30-3) is a chemical compound with molecular formula C30H37N3OS and molecular weight 487.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(octoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3H-[1,3]thiazino[3,4-b]isoquinolin-1-imine
Also Known As: 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-, N-[3-(octoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3H-[1,3]thiazino[3,4-b]isoquinolin-1-imine
| Molecular Formula | C30H37N3OS |
|---|---|
| Molecular Weight | 487.27 g/mol |
| LogP | 7.6632 |
| Topological Polar Surface Area | 37.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 487.26575 |
| Heavy Atoms | 35 |
| Complexity | 1161.3018 |
Chemical Identifiers
| CAS Number | 77195-30-3 |
|---|---|
| SMILES | CCCCCCCCOCC1=NC=C2C=CC(=CC2=C1)N=C3N4CC5=CC=CC=C5CC4CCS3 |
Product Overview
5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- (CAS 77195-30-3), with molecular formula C30H37N3OS and molecular weight 487.27 g/mol. IUPAC: N-[3-(octoxymethyl)isoquinolin-6-yl]-4,4a,5,10-tetrahydro-3H-[1,3]thiazino[3,4-b]isoquinolin-1-imine.
Chemical Property Profile of 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-
Property Insights of 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-
The XLogP value of 7.6632 indicates that 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.72 Ų, 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- 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 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-?
The CAS number of 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- is 77195-30-3.
What is the molecular formula of 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-?
The molecular formula of 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- is C30H37N3OS.
What is the molecular weight of 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-?
The molecular weight of 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- is 487.27 g/mol.
Where can I buy 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-?
You can request a quote for 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Isoquinolinamine, 3-((octyloxy)methyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.