N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CAS 690246-86-7) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide, N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(pyrrolidin-1-ylsulfonyl)benzamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)[4-methyl-3-(pyrrolidinylsulfonyl)ph enyl]carboxamide
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 2.43822 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 1013.2513 |
Chemical Identifiers
| CAS Number | 690246-86-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCC4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CAS 690246-86-7), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
The XLogP value of 2.43822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has 1 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 N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is 690246-86-7.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is C20H22N2O5S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is 402.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.