![4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate structure](/static/products/116/1164482-32-9.png)
4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate
TL;DR: 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate (CAS 1164482-32-9) 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.
[4-[(E)-2-acetamido-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
Also Known As: 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate, (E)-4-(2-acetamido-3-((2-hydroxyethyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate, [4-[(E)-2-acetamido-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate, 4-{(1E)-2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzenesulfonate
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 1.34822 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 996.27185 |
Chemical Identifiers
| CAS Number | 1164482-32-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCCO)/NC(=O)C |
Product Overview
4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate (CAS 1164482-32-9), with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol. IUPAC: [4-[(E)-2-acetamido-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate
Property Insights of 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate
The XLogP value of 1.34822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate. The TPSA of 121.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate has 3 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 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate?
The CAS number of 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate is 1164482-32-9.
What is the molecular formula of 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate?
The molecular formula of 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate is C20H22N2O6S.
What is the molecular weight of 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate?
The molecular weight of 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate is 418.12 g/mol.
Where can I buy 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate?
You can request a quote for 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxo-1-propen-1-yl}phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.