1,3-Propanedione, 1,3-bis(4-methylphenyl)-
TL;DR: 1,3-Propanedione, 1,3-bis(4-methylphenyl)- (CAS 3594-36-3) is a chemical compound with molecular formula C17H16O2 and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-methylphenyl)propane-1,3-dione
Also Known As: 1,3-bis(4-methylphenyl)propane-1,3-dione, 1,3-Di-p-tolylpropane-1,3-dione, Di(p-toluoyl)methane, Di-(p-toluyl)methane, 1,3-Propanedione, 1,3-bis(4-methylphenyl)-
| Molecular Formula | C17H16O2 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.11504 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 3594-36-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)C |
| InChIKey | XKFZOWRFWMXGQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanedione, 1,3-bis(4-methylphenyl)- (CAS 3594-36-3), with molecular formula C17H16O2 and molecular weight 252.12 g/mol. IUPAC: 1,3-bis(4-methylphenyl)propane-1,3-dione.
Chemical Property Profile of 1,3-Propanedione, 1,3-bis(4-methylphenyl)-
Property Insights of 1,3-Propanedione, 1,3-bis(4-methylphenyl)-
The XLogP value of 3.8 indicates that 1,3-Propanedione, 1,3-bis(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Propanedione, 1,3-bis(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanedione, 1,3-bis(4-methylphenyl)- has 0 hydrogen bond donor(s) and 2 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 1,3-Propanedione, 1,3-bis(4-methylphenyl)-?
The CAS number of 1,3-Propanedione, 1,3-bis(4-methylphenyl)- is 3594-36-3.
What is the molecular formula of 1,3-Propanedione, 1,3-bis(4-methylphenyl)-?
The molecular formula of 1,3-Propanedione, 1,3-bis(4-methylphenyl)- is C17H16O2.
What is the molecular weight of 1,3-Propanedione, 1,3-bis(4-methylphenyl)-?
The molecular weight of 1,3-Propanedione, 1,3-bis(4-methylphenyl)- is 252.12 g/mol.
Where can I buy 1,3-Propanedione, 1,3-bis(4-methylphenyl)-?
You can request a quote for 1,3-Propanedione, 1,3-bis(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanedione, 1,3-bis(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanedione, 1,3-bis(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.