N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CAS 690247-56-4) is a chemical compound with molecular formula C20H22N2O6S and molecular weight 418.12 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-morpholin-4-ylsulfonylbenzamide
Also Known As: BAS 05831891, N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide, N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(4-morpholinylsulfonyl)benzamide, N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(morpholin-4-ylsulfonyl)benzamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(morpholinosulfonyl)-4-toluamide
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 1.67462 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 1031.2621 |
Chemical Identifiers
| CAS Number | 690247-56-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CAS 690247-56-4), with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
The XLogP value of 1.67462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide 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 N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is 690247-56-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is C20H22N2O6S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is 418.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-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-morpholin-4-ylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.