(2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine
TL;DR: (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine (CAS 1164467-53-1) is a chemical compound with molecular formula C23H17NO5S and molecular weight 419.08273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine
Also Known As: VU0512426-1, (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine, F3168-1242, (Z)-N-(3-tosyl-2H-chromen-2-ylidene)benzo[d][1,3]dioxol-5-amine, N-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)sulfonylchromen-2-imine
Technical Specifications
| Molecular Formula | C23H17NO5S |
| Molecular Weight | 419.08273 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.08273 Da |
| Heavy Atoms | 30 |
| Complexity | 793.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3OC2=NC4=CC5=C(C=C4)OCO5 |
| InChIKey | GINWZNNPOTUXQY-UHFFFAOYSA-N |
Chemical Property Profile of (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine
Property Insights of (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine
The XLogP value of 4.9 indicates that (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine. Following Lipinski's Rule of Five, (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine?
The CAS number of (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine is 1164467-53-1.
What is the molecular formula of (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine?
The molecular formula of (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine is C23H17NO5S.
What is the molecular weight of (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine?
The molecular weight of (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine is 419.08273 g/mol.
Where can I buy (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine?
You can request a quote for (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine?
Yes, CoreyChem provides custom synthesis services for (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.