4,4'-Didodecanoyloxydiphenyldiacetylene
TL;DR: 4,4'-Didodecanoyloxydiphenyldiacetylene (CAS 92341-29-2) is a chemical compound with molecular formula C40H54O4 and molecular weight 598.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-dodecanoyloxyphenyl)buta-1,3-diynyl]phenyl] dodecanoate
Also Known As: 4,4'-Didodecanoyloxydiphenyldiacetylene, (Buta-1,3-diyne-1,4-diyl)di(4,1-phenylene) didodecanoate, [4-[4-(4-dodecanoyloxyphenyl)buta-1,3-diynyl]phenyl] dodecanoate
| Molecular Formula | C40H54O4 |
|---|---|
| Molecular Weight | 598.40 g/mol |
| LogP | 14.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 27 |
| Exact Mass | 598.4022 |
| Heavy Atoms | 44 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 92341-29-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCCCCCCCC |
| InChIKey | YYJQUZHMNWZSFS-UHFFFAOYSA-N |
Product Overview
4,4'-Didodecanoyloxydiphenyldiacetylene (CAS 92341-29-2), with molecular formula C40H54O4 and molecular weight 598.40 g/mol. IUPAC: [4-[4-(4-dodecanoyloxyphenyl)buta-1,3-diynyl]phenyl] dodecanoate.
Chemical Property Profile of 4,4'-Didodecanoyloxydiphenyldiacetylene
Property Insights of 4,4'-Didodecanoyloxydiphenyldiacetylene
The XLogP value of 14.2 indicates that 4,4'-Didodecanoyloxydiphenyldiacetylene 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'-Didodecanoyloxydiphenyldiacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Didodecanoyloxydiphenyldiacetylene 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'-Didodecanoyloxydiphenyldiacetylene?
The CAS number of 4,4'-Didodecanoyloxydiphenyldiacetylene is 92341-29-2.
What is the molecular formula of 4,4'-Didodecanoyloxydiphenyldiacetylene?
The molecular formula of 4,4'-Didodecanoyloxydiphenyldiacetylene is C40H54O4.
What is the molecular weight of 4,4'-Didodecanoyloxydiphenyldiacetylene?
The molecular weight of 4,4'-Didodecanoyloxydiphenyldiacetylene is 598.40 g/mol.
Where can I buy 4,4'-Didodecanoyloxydiphenyldiacetylene?
You can request a quote for 4,4'-Didodecanoyloxydiphenyldiacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Didodecanoyloxydiphenyldiacetylene?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Didodecanoyloxydiphenyldiacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.