2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile
TL;DR: 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile (CAS 21452-56-2) is a chemical compound with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-1H-phthalazine-1-carbonitrile
Also Known As: 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile, 2-(benzenesulfonyl)-1H-phthalazine-1-carbonitrile, 2-(benzenesulfonyl)-1,2-dihydrophthalazine-1-carbonitrile, 2-(phenylsulfonyl)-1,2-dihydrophthalazine-1-carbonitrile, 1,2-Dihydro-2-(phenylsulfonyl)-1-phthalazinecarbonitrile
| Molecular Formula | C15H11N3O2S |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0572 |
| Heavy Atoms | 21 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 21452-56-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3C=N2)C#N |
| InChIKey | YLOZXSUQAOCSDM-UHFFFAOYSA-N |
Product Overview
2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile (CAS 21452-56-2), with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol. IUPAC: 2-(benzenesulfonyl)-1H-phthalazine-1-carbonitrile.
Chemical Property Profile of 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile
Property Insights of 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile. Following Lipinski's Rule of Five, 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile 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-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile?
The CAS number of 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile is 21452-56-2.
What is the molecular formula of 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile?
The molecular formula of 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile is C15H11N3O2S.
What is the molecular weight of 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile?
The molecular weight of 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile is 297.06 g/mol.
Where can I buy 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile?
You can request a quote for 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylsulfonyl)-1,2-dihydro-1-phthalazinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.