![2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile structure](/static/products/3356/33567-70-3.webp)
2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile
TL;DR: 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile (CAS 33567-70-3) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile
Also Known As: 2-[(4-methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile, 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile, 2-(4-Methoxybenzene-1-sulfonyl)-1,2-dihydroisoquinoline-1-carbonitrile
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 33567-70-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2C#N |
| InChIKey | FYKSVCWIHMTYBV-UHFFFAOYSA-N |
Product Overview
2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile (CAS 33567-70-3), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile.
Chemical Property Profile of 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile
Property Insights of 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile. Following Lipinski's Rule of Five, 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile has 0 hydrogen bond donor(s) and 5 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 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile?
The CAS number of 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile is 33567-70-3.
What is the molecular formula of 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile?
The molecular formula of 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile is C17H14N2O3S.
What is the molecular weight of 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile?
The molecular weight of 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile is 326.07 g/mol.
Where can I buy 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile?
You can request a quote for 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.