(1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate
TL;DR: (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate (CAS 5740-35-2) is a chemical compound with molecular formula C17H25NO3 and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-anilino-1-oxopropan-2-yl) 2-ethylhexanoate
Also Known As: (1-anilino-1-oxopropan-2-yl) 2-ethylhexanoate, 1-Anilino-1-oxopropan-2-yl 2-ethylhexanoate, 1-oxo-1-(phenylamino)propan-2-yl 2-ethylhexanoate, 2-(2-ethyl-hexanoyloxy)-propionic acid anilide, Hexanoic acid,2-ethyl-, 1-methyl-2-oxo-2-(phenylamino)ethyl ester
| Molecular Formula | C17H25NO3 |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 291.18344 |
| Heavy Atoms | 21 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 5740-35-2 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC(C)C(=O)NC1=CC=CC=C1 |
| InChIKey | OWGNFZPHTFMKSU-UHFFFAOYSA-N |
Product Overview
(1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate (CAS 5740-35-2), with molecular formula C17H25NO3 and molecular weight 291.18 g/mol. IUPAC: (1-anilino-1-oxopropan-2-yl) 2-ethylhexanoate.
Chemical Property Profile of (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate
Property Insights of (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate
The XLogP value of 4.3 indicates that (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate 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 (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate?
The CAS number of (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate is 5740-35-2.
What is the molecular formula of (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate?
The molecular formula of (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate is C17H25NO3.
What is the molecular weight of (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate?
The molecular weight of (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate is 291.18 g/mol.
Where can I buy (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate?
You can request a quote for (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Anilino-1-oxopropan-2-yl) 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.