8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline
TL;DR: 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline (CAS 166895-80-3) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,4-diazepan-1-ylsulfonyl)isoquinoline
Also Known As: Fasudil Impurity 37, Fasudil Impurity 3, 8-(1,4-diazepan-1-ylsulfonyl)isoquinoline, 8-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline, 8-[(Hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]isoquinoline
| Molecular Formula | C14H17N3O2S |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 1.2188 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.10416 |
| Heavy Atoms | 20 |
| Complexity | 701.9357 |
Chemical Identifiers
| CAS Number | 166895-80-3 |
|---|---|
| SMILES | C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=NC=C3 |
Product Overview
8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline (CAS 166895-80-3), with molecular formula C14H17N3O2S and molecular weight 291.10 g/mol. IUPAC: 8-(1,4-diazepan-1-ylsulfonyl)isoquinoline.
Chemical Property Profile of 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline
Property Insights of 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline
The XLogP value of 1.2188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline. Following Lipinski's Rule of Five, 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline has 1 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 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline?
The CAS number of 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline is 166895-80-3.
What is the molecular formula of 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline?
The molecular formula of 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline is C14H17N3O2S.
What is the molecular weight of 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline?
The molecular weight of 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline is 291.10 g/mol.
Where can I buy 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline?
You can request a quote for 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,4-Diazepan-1-ylsulfonyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.