乙酰过氧化苯甲酰
TL;DR: 乙酰过氧化苯甲酰 (CAS 644-31-5) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰过氧化苯甲酰
acetyl benzenecarboperoxoate
Also Known As: Acetozone, Benzozone, ACETYL BENZOYL PEROXIDE, Peroxide, acetyl benzoyl, acetyl benzenecarboperoxoate
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
| Melting Point | 37 °C |
| Boiling Point | 130 °C @ 19 mm Hg |
| Solubility | Moderately soluble in ether, chloroform, and carbon tetrachloride; slightly soluble in mineral oils and alcohol. |
Chemical Identifiers
| CAS Number | 644-31-5 |
|---|---|
| SMILES | CC(=O)OOC(=O)C1=CC=CC=C1 |
| InChIKey | PDAVOLCVHOKLEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰过氧化苯甲酰 (CAS 644-31-5), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: acetyl benzenecarboperoxoate.
Chemical Property Profile of 乙酰过氧化苯甲酰
Property Insights of 乙酰过氧化苯甲酰
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰过氧化苯甲酰. With a topological polar surface area (TPSA) of 52.6 Ų, 乙酰过氧化苯甲酰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰过氧化苯甲酰 has 0 hydrogen bond donor(s) and 4 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 乙酰过氧化苯甲酰?
The CAS number of 乙酰过氧化苯甲酰 is 644-31-5.
What is the molecular formula of 乙酰过氧化苯甲酰?
The molecular formula of 乙酰过氧化苯甲酰 is C9H8O4.
What is the molecular weight of 乙酰过氧化苯甲酰?
The molecular weight of 乙酰过氧化苯甲酰 is 180.04 g/mol.
Where can I buy 乙酰过氧化苯甲酰?
You can request a quote for 乙酰过氧化苯甲酰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰过氧化苯甲酰?
Yes, KEHONG BIO provides custom synthesis services for 乙酰过氧化苯甲酰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.