1,4-Diacetylbenzene
TL;DR: 1,4-Diacetylbenzene (CAS 1009-61-6) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetylphenyl)ethanone
Also Known As: 1,4-Diacetylbenzene, p-Diacetylbenzene, p-Acetylacetophenone, Benzene, p-diacetyl-, 1-(4-acetylphenyl)ethanone
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| Vapor Pressure | 0.00723 [mmHg] |
Chemical Identifiers
| CAS Number | 1009-61-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)C |
| InChIKey | SKBBQSLSGRSQAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diacetylbenzene (CAS 1009-61-6), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 1-(4-acetylphenyl)ethanone.
Chemical Property Profile of 1,4-Diacetylbenzene
Property Insights of 1,4-Diacetylbenzene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diacetylbenzene. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4-Diacetylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diacetylbenzene 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 1,4-Diacetylbenzene?
The CAS number of 1,4-Diacetylbenzene is 1009-61-6.
What is the molecular formula of 1,4-Diacetylbenzene?
The molecular formula of 1,4-Diacetylbenzene is C10H10O2.
What is the molecular weight of 1,4-Diacetylbenzene?
The molecular weight of 1,4-Diacetylbenzene is 162.07 g/mol.
Where can I buy 1,4-Diacetylbenzene?
You can request a quote for 1,4-Diacetylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diacetylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diacetylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.