![Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate structure](/static/products/477/477973-59-4.png)
Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate
TL;DR: Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate (CAS 477973-59-4) is a chemical compound with molecular formula C27H32N2O4 and molecular weight 448.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
Also Known As: methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate, Methyl 4-[[2-[2-cyano-2-(octylcarbamoyl)ethenyl]phenoxy]methyl]benzoate, methyl 4-[[2-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
| Molecular Formula | C27H32N2O4 |
|---|---|
| Molecular Weight | 448.24 g/mol |
| LogP | 5.43588 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 448.2362 |
| Heavy Atoms | 33 |
| Complexity | 974.361 |
Chemical Identifiers
| CAS Number | 477973-59-4 |
|---|---|
| SMILES | CCCCCCCCNC(=O)/C(=C/C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)/C#N |
Product Overview
Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate (CAS 477973-59-4), with molecular formula C27H32N2O4 and molecular weight 448.24 g/mol. IUPAC: methyl 4-[[2-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate.
Chemical Property Profile of Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate
Property Insights of Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate
The XLogP value of 5.43588 indicates that Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate has 1 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 Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate?
The CAS number of Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate is 477973-59-4.
What is the molecular formula of Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate?
The molecular formula of Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate is C27H32N2O4.
What is the molecular weight of Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate?
The molecular weight of Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate is 448.24 g/mol.
Where can I buy Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate?
You can request a quote for Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({2-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.