(E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
TL;DR: (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate (CAS 840477-32-9) is a chemical compound with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-acetamido-3-(butylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
Also Known As: (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate, [4-[(E)-2-acetamido-3-(butylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate, 4-[(1E)-2-(acetylamino)-3-(butylamino)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzenesulfonate
| Molecular Formula | C22H26N2O5S |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 3.15602 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 430.15625 |
| Heavy Atoms | 30 |
| Complexity | 1010.49835 |
Chemical Identifiers
| CAS Number | 840477-32-9 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C\C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)/NC(=O)C |
Product Overview
(E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate (CAS 840477-32-9), with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol. IUPAC: [4-[(E)-2-acetamido-3-(butylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
Property Insights of (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
The XLogP value of 3.15602 indicates that (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate has 2 hydrogen bond donor(s) and 5 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 (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The CAS number of (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is 840477-32-9.
What is the molecular formula of (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The molecular formula of (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is C22H26N2O5S.
What is the molecular weight of (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The molecular weight of (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is 430.16 g/mol.
Where can I buy (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
You can request a quote for (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-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 (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-acetamido-3-(butylamino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.