4,4'-Dipentanoyloxydiphenyldiacetylene
TL;DR: 4,4'-Dipentanoyloxydiphenyldiacetylene (CAS 71332-83-7) is a chemical compound with molecular formula C26H26O4 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-pentanoyloxyphenyl)buta-1,3-diynyl]phenyl] pentanoate
Also Known As: 4,4'-Dipentanoyloxydiphenyldiacetylene, [4-[4-(4-pentanoyloxyphenyl)buta-1,3-diynyl]phenyl] pentanoate, (Buta-1,3-diyne-1,4-diyl)di(4,1-phenylene) dipentanoate, pentanoic acid, 1,3-butadiyne-1,4-diyldi-1,4- phenylene ester, RefChem:284622
| Molecular Formula | C26H26O4 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 402.1831 |
| Heavy Atoms | 30 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 71332-83-7 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCC |
| InChIKey | OVPLFIJMKWNQRE-UHFFFAOYSA-N |
Product Overview
4,4'-Dipentanoyloxydiphenyldiacetylene (CAS 71332-83-7), with molecular formula C26H26O4 and molecular weight 402.18 g/mol. IUPAC: [4-[4-(4-pentanoyloxyphenyl)buta-1,3-diynyl]phenyl] pentanoate.
Chemical Property Profile of 4,4'-Dipentanoyloxydiphenyldiacetylene
Property Insights of 4,4'-Dipentanoyloxydiphenyldiacetylene
The XLogP value of 6.6 indicates that 4,4'-Dipentanoyloxydiphenyldiacetylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4,4'-Dipentanoyloxydiphenyldiacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Dipentanoyloxydiphenyldiacetylene 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 4,4'-Dipentanoyloxydiphenyldiacetylene?
The CAS number of 4,4'-Dipentanoyloxydiphenyldiacetylene is 71332-83-7.
What is the molecular formula of 4,4'-Dipentanoyloxydiphenyldiacetylene?
The molecular formula of 4,4'-Dipentanoyloxydiphenyldiacetylene is C26H26O4.
What is the molecular weight of 4,4'-Dipentanoyloxydiphenyldiacetylene?
The molecular weight of 4,4'-Dipentanoyloxydiphenyldiacetylene is 402.18 g/mol.
Where can I buy 4,4'-Dipentanoyloxydiphenyldiacetylene?
You can request a quote for 4,4'-Dipentanoyloxydiphenyldiacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dipentanoyloxydiphenyldiacetylene?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dipentanoyloxydiphenyldiacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.