Peroxide, acetyl 3-chlorobenzoyl
TL;DR: Peroxide, acetyl 3-chlorobenzoyl (CAS 777-05-9) is a chemical compound with molecular formula C9H7ClO4 and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyl 3-chlorobenzenecarboperoxoate
Also Known As: Peroxide, acetyl 3-chlorobenzoyl, Peroxide, acetyl m-chlorobenzoyl, acetyl 3-chlorobenzenecarboperoxoate, Acetyl(m-chlorobenzoyl) peroxide, Acetic m-chlorobenzoic peroxyanhydride
| Molecular Formula | C9H7ClO4 |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.00328 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 777-05-9 |
|---|---|
| SMILES | CC(=O)OOC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | XYEVNRMZKVBYDB-UHFFFAOYSA-N |
Product Overview
Peroxide, acetyl 3-chlorobenzoyl (CAS 777-05-9), with molecular formula C9H7ClO4 and molecular weight 214.00 g/mol. IUPAC: acetyl 3-chlorobenzenecarboperoxoate.
Chemical Property Profile of Peroxide, acetyl 3-chlorobenzoyl
Property Insights of Peroxide, acetyl 3-chlorobenzoyl
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Peroxide, acetyl 3-chlorobenzoyl. With a topological polar surface area (TPSA) of 52.6 Ų, Peroxide, acetyl 3-chlorobenzoyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Peroxide, acetyl 3-chlorobenzoyl 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 Peroxide, acetyl 3-chlorobenzoyl?
The CAS number of Peroxide, acetyl 3-chlorobenzoyl is 777-05-9.
What is the molecular formula of Peroxide, acetyl 3-chlorobenzoyl?
The molecular formula of Peroxide, acetyl 3-chlorobenzoyl is C9H7ClO4.
What is the molecular weight of Peroxide, acetyl 3-chlorobenzoyl?
The molecular weight of Peroxide, acetyl 3-chlorobenzoyl is 214.00 g/mol.
Where can I buy Peroxide, acetyl 3-chlorobenzoyl?
You can request a quote for Peroxide, acetyl 3-chlorobenzoyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peroxide, acetyl 3-chlorobenzoyl?
Yes, KEHONG BIO provides custom synthesis services for Peroxide, acetyl 3-chlorobenzoyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.