4,4'-Dihexanoyloxydiphenyldiacetylene
TL;DR: 4,4'-Dihexanoyloxydiphenyldiacetylene (CAS 92341-26-9) is a chemical compound with molecular formula C28H30O4 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-hexanoyloxyphenyl)buta-1,3-diynyl]phenyl] hexanoate
Also Known As: 4,4'-Dihexanoyloxydiphenyldiacetylene, 1,3-butadiyne-1,4-diylbis (1,4-phenylenehexanoate), (Buta-1,3-diyne-1,4-diyl)di(4,1-phenylene) dihexanoate, [4-[4-(4-hexanoyloxyphenyl)buta-1,3-diynyl]phenyl] hexanoate
| Molecular Formula | C28H30O4 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 430.21442 |
| Heavy Atoms | 32 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 92341-26-9 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCC |
| InChIKey | QGHKREKJSWULHP-UHFFFAOYSA-N |
Product Overview
4,4'-Dihexanoyloxydiphenyldiacetylene (CAS 92341-26-9), with molecular formula C28H30O4 and molecular weight 430.21 g/mol. IUPAC: [4-[4-(4-hexanoyloxyphenyl)buta-1,3-diynyl]phenyl] hexanoate.
Chemical Property Profile of 4,4'-Dihexanoyloxydiphenyldiacetylene
Property Insights of 4,4'-Dihexanoyloxydiphenyldiacetylene
The XLogP value of 7.7 indicates that 4,4'-Dihexanoyloxydiphenyldiacetylene 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'-Dihexanoyloxydiphenyldiacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Dihexanoyloxydiphenyldiacetylene 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'-Dihexanoyloxydiphenyldiacetylene?
The CAS number of 4,4'-Dihexanoyloxydiphenyldiacetylene is 92341-26-9.
What is the molecular formula of 4,4'-Dihexanoyloxydiphenyldiacetylene?
The molecular formula of 4,4'-Dihexanoyloxydiphenyldiacetylene is C28H30O4.
What is the molecular weight of 4,4'-Dihexanoyloxydiphenyldiacetylene?
The molecular weight of 4,4'-Dihexanoyloxydiphenyldiacetylene is 430.21 g/mol.
Where can I buy 4,4'-Dihexanoyloxydiphenyldiacetylene?
You can request a quote for 4,4'-Dihexanoyloxydiphenyldiacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dihexanoyloxydiphenyldiacetylene?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dihexanoyloxydiphenyldiacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.