(E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate
TL;DR: (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate (CAS 331259-54-2) is a chemical compound with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[(E)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-phenylprop-2-enoyl]amino]acetate
Also Known As: BAS 00363462, BIM-0024253.P001, (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate, [2-(4-Isobutoxy-benzoylamino)-3-phenyl-acryloylamino]-acetic acid benzyl ester, benzyl 2-[[(E)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-phenylprop-2-enoyl]amino]acetate
| Molecular Formula | C29H30N2O5 |
|---|---|
| Molecular Weight | 486.22 g/mol |
| LogP | 4.3519 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.21548 |
| Heavy Atoms | 36 |
| Complexity | 1173.306 |
Chemical Identifiers
| CAS Number | 331259-54-2 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCC(=O)OCC3=CC=CC=C3 |
Product Overview
(E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate (CAS 331259-54-2), with molecular formula C29H30N2O5 and molecular weight 486.22 g/mol. IUPAC: benzyl 2-[[(E)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-phenylprop-2-enoyl]amino]acetate.
Chemical Property Profile of (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate
Property Insights of (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate
The XLogP value of 4.3519 indicates that (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate. Following Lipinski's Rule of Five, (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate 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)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate?
The CAS number of (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate is 331259-54-2.
What is the molecular formula of (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate?
The molecular formula of (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate is C29H30N2O5.
What is the molecular weight of (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate?
The molecular weight of (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate is 486.22 g/mol.
Where can I buy (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate?
You can request a quote for (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-benzyl 2-(2-(4-isobutoxybenzamido)-3-phenylacrylamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.