2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide
TL;DR: 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide (CAS 696637-94-2) is a chemical compound with molecular formula C19H15Cl2N3O5S and molecular weight 467.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide, A3401/0144191, 2,4-dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(pyrrolidin-1-ylsulfonyl)benzamide, 2,4-dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-pyrrolidin-1-ylsulfonylbenzamide, 2,4-DICHLORO-N-(6-CYANO-2H-1,3-BENZODIOXOL-5-YL)-5-(PYRROLIDINE-1-SULFONYL)BENZAMIDE
| Molecular Formula | C19H15Cl2N3O5S |
|---|---|
| Molecular Weight | 467.01 g/mol |
| LogP | 3.63058 |
| Topological Polar Surface Area | 108.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.01096 |
| Heavy Atoms | 30 |
| Complexity | 1187.6316 |
Chemical Identifiers
| CAS Number | 696637-94-2 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3C#N)OCO4)Cl)Cl |
Product Overview
2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide (CAS 696637-94-2), with molecular formula C19H15Cl2N3O5S and molecular weight 467.01 g/mol. IUPAC: 2,4-dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide
Property Insights of 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide
The XLogP value of 3.63058 indicates that 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide. Following Lipinski's Rule of Five, 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide has 1 hydrogen bond donor(s) and 6 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-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide?
The CAS number of 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide is 696637-94-2.
What is the molecular formula of 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide?
The molecular formula of 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide is C19H15Cl2N3O5S.
What is the molecular weight of 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide?
The molecular weight of 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide is 467.01 g/mol.
Where can I buy 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide?
You can request a quote for 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-N-(6-cyano-1,3-benzodioxol-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.