(E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
TL;DR: (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate (CAS 1164451-51-7) is a chemical compound with molecular formula C29H24N2O5S and molecular weight 512.14056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(E)-3-anilino-2-benzamido-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate
Also Known As: (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate, [4-[(E)-3-anilino-2-benzamido-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate, Toluene-4-sulfonic acid 4-((E)-2-benzoylamino-2-phenylcarbamoyl-vinyl)-phenyl ester, 4-{(1E)-3-oxo-3-(phenylamino)-2-[(phenylcarbonyl)amino]prop-1-en-1-yl}phenyl 4-methylbenzenesulfonate
Technical Specifications
| Molecular Formula | C29H24N2O5S |
| Molecular Weight | 512.14056 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.14056 Da |
| Heavy Atoms | 37 |
| Complexity | 884.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NC3=CC=CC=C3)/NC(=O)C4=CC=CC=C4 |
| InChIKey | TVTHJBRBTYULRM-NHFJDJAPSA-N |
Chemical Property Profile of (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
Property Insights of (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate
The XLogP value of 5.7 indicates that (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The CAS number of (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is 1164451-51-7.
What is the molecular formula of (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The molecular formula of (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is C29H24N2O5S.
What is the molecular weight of (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
The molecular weight of (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate is 512.14056 g/mol.
Where can I buy (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
You can request a quote for (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for (E)-4-(2-benzamido-3-oxo-3-(phenylamino)prop-1-en-1-yl)phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.