1,4-Bis(2,4,6-trimethylphenyl)butan-1-one
TL;DR: 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one (CAS 5990-85-2) is a chemical compound with molecular formula C22H28O and molecular weight 308.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2,4,6-trimethylphenyl)butan-1-one
Also Known As: 1,4-bis(2,4,6-trimethylphenyl)butan-1-one, KST-1B6066, Benzene,1,1'-(2-butyne-1,4-diyl)bis[2,4,6-trimethyl
| Molecular Formula | C22H28O |
|---|---|
| Molecular Weight | 308.21 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.21402 |
| Heavy Atoms | 23 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 5990-85-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CCCC(=O)C2=C(C=C(C=C2C)C)C)C |
| InChIKey | NUGQAYQQTZJDJW-UHFFFAOYSA-N |
Product Overview
1,4-Bis(2,4,6-trimethylphenyl)butan-1-one (CAS 5990-85-2), with molecular formula C22H28O and molecular weight 308.21 g/mol. IUPAC: 1,4-bis(2,4,6-trimethylphenyl)butan-1-one.
Chemical Property Profile of 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one
Property Insights of 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one
The XLogP value of 6.0 indicates that 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one?
The CAS number of 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one is 5990-85-2.
What is the molecular formula of 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one?
The molecular formula of 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one is C22H28O.
What is the molecular weight of 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one?
The molecular weight of 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one is 308.21 g/mol.
Where can I buy 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one?
You can request a quote for 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2,4,6-trimethylphenyl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.