2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester
TL;DR: 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester (CAS 1164556-76-6) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate
Also Known As: BAS 00371145, propan-2-yl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate, 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester, isopropyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate, (2E,4E)-isopropyl 2-benzamido-5-phenylpenta-2,4-dienoate
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 3.9653 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 762.24286 |
Chemical Identifiers
| CAS Number | 1164556-76-6 |
|---|---|
| SMILES | CC(C)OC(=O)/C(=C\C=C\C1=CC=CC=C1)/NC(=O)C2=CC=CC=C2 |
Product Overview
2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester (CAS 1164556-76-6), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: propan-2-yl (2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoate.
Chemical Property Profile of 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester
Property Insights of 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester
The XLogP value of 3.9653 indicates that 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester has 1 hydrogen bond donor(s) and 3 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 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester?
The CAS number of 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester is 1164556-76-6.
What is the molecular formula of 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester?
The molecular formula of 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester is C21H21NO3.
What is the molecular weight of 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester?
The molecular weight of 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester is 335.15 g/mol.
Where can I buy 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester?
You can request a quote for 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoylamino-5-phenyl-penta-2,4-dienoic acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.