4,4'-Diheptanoyloxydiphenyldiacetylene
TL;DR: 4,4'-Diheptanoyloxydiphenyldiacetylene (CAS 92341-27-0) is a chemical compound with molecular formula C30H34O4 and molecular weight 458.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-heptanoyloxyphenyl)buta-1,3-diynyl]phenyl] heptanoate
Also Known As: 4,4'-Diheptanoyloxydiphenyldiacetylene, 1,3-butadiyne-1,4-diylbis(1,4-phenyleneheptanoate), (Buta-1,3-diyne-1,4-diyl)di(4,1-phenylene) diheptanoate, [4-[4-(4-heptanoyloxyphenyl)buta-1,3-diynyl]phenyl] heptanoate
| Molecular Formula | C30H34O4 |
|---|---|
| Molecular Weight | 458.25 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 458.2457 |
| Heavy Atoms | 34 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 92341-27-0 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)OC(=O)CCCCCC |
| InChIKey | SUMRTVAVHVZJSN-UHFFFAOYSA-N |
Product Overview
4,4'-Diheptanoyloxydiphenyldiacetylene (CAS 92341-27-0), with molecular formula C30H34O4 and molecular weight 458.25 g/mol. IUPAC: [4-[4-(4-heptanoyloxyphenyl)buta-1,3-diynyl]phenyl] heptanoate.
Chemical Property Profile of 4,4'-Diheptanoyloxydiphenyldiacetylene
Property Insights of 4,4'-Diheptanoyloxydiphenyldiacetylene
The XLogP value of 8.7 indicates that 4,4'-Diheptanoyloxydiphenyldiacetylene 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'-Diheptanoyloxydiphenyldiacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Diheptanoyloxydiphenyldiacetylene 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'-Diheptanoyloxydiphenyldiacetylene?
The CAS number of 4,4'-Diheptanoyloxydiphenyldiacetylene is 92341-27-0.
What is the molecular formula of 4,4'-Diheptanoyloxydiphenyldiacetylene?
The molecular formula of 4,4'-Diheptanoyloxydiphenyldiacetylene is C30H34O4.
What is the molecular weight of 4,4'-Diheptanoyloxydiphenyldiacetylene?
The molecular weight of 4,4'-Diheptanoyloxydiphenyldiacetylene is 458.25 g/mol.
Where can I buy 4,4'-Diheptanoyloxydiphenyldiacetylene?
You can request a quote for 4,4'-Diheptanoyloxydiphenyldiacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Diheptanoyloxydiphenyldiacetylene?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Diheptanoyloxydiphenyldiacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.