![Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate structure](/static/products/107/107970-41-2.png)
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 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H21NO4S |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.32632 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.11914 |
| Heavy Atoms | 22 |
| Complexity | 643.22833 |
Chemical Identifiers
| CAS Number | 107970-41-2 |
|---|---|
| SMILES | CCOC(=O)C(CCC=C=C)NS(=O)(=O)C1=CC=C(C=C1)C |
Product Overview
Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate (CAS 107970-41-2), with molecular formula C16H21NO4S and molecular weight 323.12 g/mol. IUPAC: ethyl 2-[(4-methylphenyl)sulfonylamino]hepta-5,6-dienoate.
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 2.32632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate. The TPSA of 72.47 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 4 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 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 323.12 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}-5,6-heptadienoate?
Yes, KEHONG BIO 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.