(E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
TL;DR: (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate (CAS 840472-77-7) is a chemical compound with molecular formula C21H24N2O6S and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-acetamido-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
Also Known As: (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate, [4-[(E)-2-acetamido-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate, 4-{(1E)-2-(acetylamino)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzenesulfonate, Toluene-4-sulfonic acid 4-[(E)-2-acetylamino-2-(3-hydroxy-propylcarbamoyl)-vinyl]-phenyl ester
| Molecular Formula | C21H24N2O6S |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 1.73832 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.1355 |
| Heavy Atoms | 30 |
| Complexity | 1012.46704 |
Chemical Identifiers
| CAS Number | 840472-77-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCCCO)/NC(=O)C |
Product Overview
(E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate (CAS 840472-77-7), with molecular formula C21H24N2O6S and molecular weight 432.14 g/mol. IUPAC: [4-[(E)-2-acetamido-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
Property Insights of (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
The XLogP value of 1.73832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate. The TPSA of 121.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-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 (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The CAS number of (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is 840472-77-7.
What is the molecular formula of (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The molecular formula of (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is C21H24N2O6S.
What is the molecular weight of (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The molecular weight of (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is 432.14 g/mol.
Where can I buy (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
You can request a quote for (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-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-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-acetamido-3-((3-hydroxypropyl)amino)-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.