![ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate structure](/static/products/4970/49707-59-7.webp)
ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate
TL;DR: ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate (CAS 49707-59-7) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-2-(2-phenylbutan-2-ylimino)pentanoate
Also Known As: ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate, 3-Methyl-2-[(1-methyl-1-phenylpropyl)imino]pentanoic acid ethyl ester, Ethyl (2E)-3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate, Pentanoic acid, 3-methyl-2-[(1-methyl-1-phenylpropyl)imino]-, ethyl ester
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 49707-59-7 |
|---|---|
| SMILES | CCC(C)C(=NC(C)(CC)C1=CC=CC=C1)C(=O)OCC |
| InChIKey | PTBHCZWTCPTDLB-UHFFFAOYSA-N |
Product Overview
ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate (CAS 49707-59-7), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: ethyl 3-methyl-2-(2-phenylbutan-2-ylimino)pentanoate.
Chemical Property Profile of ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate
Property Insights of ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate
The XLogP value of 4.7 indicates that ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate has 0 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 ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate?
The CAS number of ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate is 49707-59-7.
What is the molecular formula of ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate?
The molecular formula of ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate is C18H27NO2.
What is the molecular weight of ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate?
The molecular weight of ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate is 289.20 g/mol.
Where can I buy ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate?
You can request a quote for ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-methyl-2-[(2-phenylbutan-2-yl)imino]pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.