![Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate structure](/static/products/107/107970-41-2.webp)
Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate
TL;DR: Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate (CAS 107970-41-2) is a chemical compound with molecular formula C16H21NO4S and molecular weight 323.11914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(4-methylphenyl)sulfonylamino]hepta-5,6-dienoate
Also Known As: ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate, ethyl 2-[(4-methylphenyl)sulfonylamino]hepta-5,6-dienoate, ethyl 2-(4-methylbenzenesulfonamido)hepta-5,6-dienoate, 2-[(4-Methylphenylsulfonyl)amino]-5,6-heptadienoic acid ethyl ester
Technical Specifications
| Molecular Formula | C16H21NO4S |
| Molecular Weight | 323.11914 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.11914 Da |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
| SMILES | CCOC(=O)C(CCC=C=C)NS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | XRNCTMRLXZQGQP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate
Property Insights of Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate. Following Lipinski's Rule of Five, Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate 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
What is the CAS number of Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate?
The CAS number of Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate is 107970-41-2.
What is the molecular formula of Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate?
The molecular formula of Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate is C16H21NO4S.
What is the molecular weight of Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate?
The molecular weight of Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate is 323.11914 g/mol.
Where can I buy Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate?
You can request a quote for Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.