but-3-enyl 4-cyanophenyl ether
TL;DR: but-3-enyl 4-cyanophenyl ether (CAS 115025-99-5) is a chemical compound with molecular formula C32H35NO6 and molecular weight 529.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoate;oxalic acid
Also Known As: but-3-enyl 4-cyanophenyl ether, 1-Naphthalenepropanoic acid, alpha-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester, ethanedioate (1:1), 2-Diethylaminoethyl 1,3-bis(1-naphthyl)propane-2-carboxylate hydrogen oxalate, 2-(diethylamino)ethyl 3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoate;oxalic acid, 2-Diethylaminoethyl-3-(1-naphthyl)-2-(1-naphthylmethyl)propionate oxalate
| Molecular Formula | C32H35NO6 |
|---|---|
| Molecular Weight | 529.25 g/mol |
| LogP | 5.435 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.24646 |
| Heavy Atoms | 39 |
| Complexity | 1308.4852 |
Chemical Identifiers
| CAS Number | 115025-99-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O |
Product Overview
but-3-enyl 4-cyanophenyl ether (CAS 115025-99-5), with molecular formula C32H35NO6 and molecular weight 529.25 g/mol. IUPAC: 2-(diethylamino)ethyl 3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoate;oxalic acid.
Chemical Property Profile of but-3-enyl 4-cyanophenyl ether
Property Insights of but-3-enyl 4-cyanophenyl ether
The XLogP value of 5.435 indicates that but-3-enyl 4-cyanophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for but-3-enyl 4-cyanophenyl ether. Following Lipinski's Rule of Five, but-3-enyl 4-cyanophenyl ether has 2 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 but-3-enyl 4-cyanophenyl ether?
The CAS number of but-3-enyl 4-cyanophenyl ether is 115025-99-5.
What is the molecular formula of but-3-enyl 4-cyanophenyl ether?
The molecular formula of but-3-enyl 4-cyanophenyl ether is C32H35NO6.
What is the molecular weight of but-3-enyl 4-cyanophenyl ether?
The molecular weight of but-3-enyl 4-cyanophenyl ether is 529.25 g/mol.
Where can I buy but-3-enyl 4-cyanophenyl ether?
You can request a quote for but-3-enyl 4-cyanophenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-3-enyl 4-cyanophenyl ether?
Yes, KEHONG BIO provides custom synthesis services for but-3-enyl 4-cyanophenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.