Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate
TL;DR: Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate (CAS 71898-69-6) is a chemical compound with molecular formula C24H30O4 and molecular weight 382.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[4-[4-(2-ethoxy-2-oxoethyl)phenyl]butyl]phenyl]acetate
Also Known As: diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate, Benzenepropanol,b-phenyl-,1-(4-nitrobenzoate), Diethyl 2,2'-[butane-1,4-diyldi(4,1-phenylene)]diacetate, ethyl 2-[4-[4-[4-(2-ethoxy-2-oxoethyl)phenyl]butyl]phenyl]acetate, ethyl 2-[4-[4-[4-(ethoxycarbonylmethyl)phenyl]butyl]phenyl]acetate
| Molecular Formula | C24H30O4 |
|---|---|
| Molecular Weight | 382.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.21442 |
| Heavy Atoms | 28 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 71898-69-6 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=C(C=C1)CCCCC2=CC=C(C=C2)CC(=O)OCC |
| InChIKey | NYBHSEYULYTOMS-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate (CAS 71898-69-6), with molecular formula C24H30O4 and molecular weight 382.21 g/mol. IUPAC: ethyl 2-[4-[4-[4-(2-ethoxy-2-oxoethyl)phenyl]butyl]phenyl]acetate.
Chemical Property Profile of Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate
Property Insights of Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate
The XLogP value of 5.5 indicates that Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate?
The CAS number of Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate is 71898-69-6.
What is the molecular formula of Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate?
The molecular formula of Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate is C24H30O4.
What is the molecular weight of Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate?
The molecular weight of Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate is 382.21 g/mol.
Where can I buy Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate?
You can request a quote for Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-(butane-1,4-diyldibenzene-4,1-diyl)diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.