![[4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate structure](/static/products/840/840461-98-5.png)
[4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
TL;DR: [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate (CAS 840461-98-5) is a chemical compound with molecular formula C25H24N2O6S and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
Also Known As: [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate|(E)-4-(2-acetamido-3-((4-methoxyphenyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate|4-{(1E)-2-(acetylamino)-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzenesulfonate
| Molecular Formula | C25H24N2O6S |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | 3.88702 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.1355 |
| Heavy Atoms | 34 |
| Complexity | 1297.0216 |
Chemical Identifiers
| CAS Number | 840461-98-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NC3=CC=C(C=C3)OC)/NC(=O)C |
Product Overview
[4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate (CAS 840461-98-5), with molecular formula C25H24N2O6S and molecular weight 480.14 g/mol. IUPAC: [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
Property Insights of [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
The XLogP value of 3.88702 indicates that [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate has 2 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-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate?
The CAS number of [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate is 840461-98-5.
What is the molecular formula of [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate?
The molecular formula of [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate is C25H24N2O6S.
What is the molecular weight of [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate?
The molecular weight of [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate is 480.14 g/mol.
Where can I buy [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate?
You can request a quote for [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]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-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-acetamido-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.