![6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile structure](/static/products/6913/691396-66-4.webp)
6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
TL;DR: 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CAS 691396-66-4) is a chemical compound with molecular formula C22H13ClN6O4S and molecular weight 492.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Also Known As: 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile, 6-amino-5-[(1,3-dioxaindan-5-yl)methyl]-7-(4-chlorobenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
| Molecular Formula | C22H13ClN6O4S |
|---|---|
| Molecular Weight | 492.04 g/mol |
| LogP | 3.02006 |
| Topological Polar Surface Area | 156.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.04074 |
| Heavy Atoms | 34 |
| Complexity | 1667.2612 |
Chemical Identifiers
| CAS Number | 691396-66-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=NC(=C(N=C43)C#N)C#N)S(=O)(=O)C5=CC=C(C=C5)Cl)N |
Product Overview
6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CAS 691396-66-4), with molecular formula C22H13ClN6O4S and molecular weight 492.04 g/mol. IUPAC: 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
Chemical Property Profile of 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
Property Insights of 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
The XLogP value of 3.02006 indicates that 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.91 Ų indicates high polarity, suggesting 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has 1 hydrogen bond donor(s) and 9 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-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The CAS number of 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is 691396-66-4.
What is the molecular formula of 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The molecular formula of 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is C22H13ClN6O4S.
What is the molecular weight of 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The molecular weight of 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is 492.04 g/mol.
Where can I buy 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
You can request a quote for 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-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-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.