A3534/0149711
TL;DR: A3534/0149711 (CAS 695207-02-4) is a chemical compound with molecular formula C21H16N4S and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-pyridin-2-ylsulfanyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: A3534/0149711, 11-pyridin-2-ylsulfanyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile, 11-(pyridin-2-ylsulfanyl)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile, 11-(pyridin-2-ylthio)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile, 11-(2-PYRIDYLSULFANYL)-7,8,9,10-TETRAHYDRO[1,3]BENZIMIDAZO[1,2-B]ISOQUINOLIN-6-YL CYANIDE
| Molecular Formula | C21H16N4S |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 4.78418 |
| Topological Polar Surface Area | 53.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.10956 |
| Heavy Atoms | 26 |
| Complexity | 1171.7743 |
Chemical Identifiers
| CAS Number | 695207-02-4 |
|---|---|
| SMILES | C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)SC5=CC=CC=N5 |
Product Overview
A3534/0149711 (CAS 695207-02-4), with molecular formula C21H16N4S and molecular weight 356.11 g/mol. IUPAC: 11-pyridin-2-ylsulfanyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of A3534/0149711
Property Insights of A3534/0149711
The XLogP value of 4.78418 indicates that A3534/0149711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.98 Ų, A3534/0149711 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3534/0149711 has 0 hydrogen bond donor(s) and 4 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 A3534/0149711?
The CAS number of A3534/0149711 is 695207-02-4.
What is the molecular formula of A3534/0149711?
The molecular formula of A3534/0149711 is C21H16N4S.
What is the molecular weight of A3534/0149711?
The molecular weight of A3534/0149711 is 356.11 g/mol.
Where can I buy A3534/0149711?
You can request a quote for A3534/0149711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3534/0149711?
Yes, KEHONG BIO provides custom synthesis services for A3534/0149711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.