3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate
TL;DR: 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate (CAS 84006-52-0) is a chemical compound with molecular formula C25H35NO4 and molecular weight 413.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate
Also Known As: 2-( -1-methylpropylundecanoate
| Molecular Formula | C25H35NO4 |
|---|---|
| Molecular Weight | 413.26 g/mol |
| LogP | 5.98778 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 413.25662 |
| Heavy Atoms | 30 |
| Complexity | 705.6088 |
Chemical Identifiers
| CAS Number | 84006-52-0 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)C(=CC1=CC=CC=C1)C#N |
Product Overview
3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate (CAS 84006-52-0), with molecular formula C25H35NO4 and molecular weight 413.26 g/mol. IUPAC: 3-(2-cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate.
Chemical Property Profile of 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate
Property Insights of 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate
The XLogP value of 5.98778 indicates that 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate. Following Lipinski's Rule of Five, 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate?
The CAS number of 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate is 84006-52-0.
What is the molecular formula of 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate?
The molecular formula of 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate is C25H35NO4.
What is the molecular weight of 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate?
The molecular weight of 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate is 413.26 g/mol.
Where can I buy 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate?
You can request a quote for 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Cyano-3-phenylprop-2-enoyl)oxybutan-2-yl undecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.