6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile
TL;DR: 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile (CAS 691396-48-2) is a chemical compound with molecular formula C22H16N6O2S and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-7-(benzenesulfonyl)-5-(2-phenylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile, 6-amino-7-(benzenesulfonyl)-5-(2-phenylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-7-(benzenesulfonyl)-5-phenethylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-7-(benzenesulfonyl)-5-(2-phenylethyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
| Molecular Formula | C22H16N6O2S |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 2.83236 |
| Topological Polar Surface Area | 138.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.10553 |
| Heavy Atoms | 31 |
| Complexity | 1464.2025 |
Chemical Identifiers
| CAS Number | 691396-48-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=CC=C4)N |
Product Overview
6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile (CAS 691396-48-2), with molecular formula C22H16N6O2S and molecular weight 428.11 g/mol. IUPAC: 6-amino-7-(benzenesulfonyl)-5-(2-phenylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile
Property Insights of 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile
The XLogP value of 2.83236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile. The TPSA of 138.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile. Following Lipinski's Rule of Five, 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile has 1 hydrogen bond donor(s) and 7 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 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile?
The CAS number of 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile is 691396-48-2.
What is the molecular formula of 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile?
The molecular formula of 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile is C22H16N6O2S.
What is the molecular weight of 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile?
The molecular weight of 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile is 428.11 g/mol.
Where can I buy 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile?
You can request a quote for 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5-phenethyl-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.