Di-p-tolylbutadiyne
TL;DR: Di-p-tolylbutadiyne (CAS 22666-07-5) is a chemical compound with molecular formula C18H14 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[4-(4-methylphenyl)buta-1,3-diynyl]benzene
Also Known As: di-p-tolylbutadiyne, Di-p-tolylbutadiin, Bis(4-methylphenyl)butadiyne, RJKUSAYHEBGVLF-UHFFFAOYSA, RJKUSAYHEBGVLF-UHFFFAOYSA-
| Molecular Formula | C18H14 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 3.70664 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.10954 |
| Heavy Atoms | 18 |
| Complexity | 574.1601 |
Chemical Identifiers
| CAS Number | 22666-07-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C |
Product Overview
Di-p-tolylbutadiyne (CAS 22666-07-5), with molecular formula C18H14 and molecular weight 230.11 g/mol. IUPAC: 1-methyl-4-[4-(4-methylphenyl)buta-1,3-diynyl]benzene.
Chemical Property Profile of Di-p-tolylbutadiyne
Property Insights of Di-p-tolylbutadiyne
The XLogP value of 3.70664 indicates that Di-p-tolylbutadiyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Di-p-tolylbutadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-p-tolylbutadiyne has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Di-p-tolylbutadiyne?
The CAS number of Di-p-tolylbutadiyne is 22666-07-5.
What is the molecular formula of Di-p-tolylbutadiyne?
The molecular formula of Di-p-tolylbutadiyne is C18H14.
What is the molecular weight of Di-p-tolylbutadiyne?
The molecular weight of Di-p-tolylbutadiyne is 230.11 g/mol.
Where can I buy Di-p-tolylbutadiyne?
You can request a quote for Di-p-tolylbutadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-p-tolylbutadiyne?
Yes, KEHONG BIO provides custom synthesis services for Di-p-tolylbutadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.