(Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate
TL;DR: (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate (CAS 3299-51-2) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (Z)-4-(4-methylanilino)-2-oxo-4-phenylbut-3-enoate
Also Known As: (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate, Isopropyl (Z)-2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate, isopropyl 4-[(4-methylphenyl)amino]-2-oxo-4-phenyl-3-butenoate, propan-2-yl (Z)-4-(4-methylanilino)-2-oxo-4-phenylbut-3-enoate, propan-2-yl (3Z)-4-[(4-methylphenyl)amino]-2-oxo-4-phenylbut-3-enoate
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.96872 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 731.2391 |
Chemical Identifiers
| CAS Number | 3299-51-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C(=C\C(=O)C(=O)OC(C)C)/C2=CC=CC=C2 |
Product Overview
(Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate (CAS 3299-51-2), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: propan-2-yl (Z)-4-(4-methylanilino)-2-oxo-4-phenylbut-3-enoate.
Chemical Property Profile of (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate
Property Insights of (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate
The XLogP value of 3.96872 indicates that (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate has 1 hydrogen bond donor(s) and 4 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 (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate?
The CAS number of (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate is 3299-51-2.
What is the molecular formula of (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate?
The molecular formula of (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate is C20H21NO3.
What is the molecular weight of (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate?
The molecular weight of (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate is 323.15 g/mol.
Where can I buy (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate?
You can request a quote for (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-isopropyl 2-oxo-4-phenyl-4-(p-tolylamino)but-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.