过氧苯甲酸
TL;DR: 过氧苯甲酸 (CAS 93-59-4) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
过氧苯甲酸
benzenecarboperoxoic acid
Also Known As: Perbenzoic acid, Peroxybenzoic acid, Benzenecarboperoxoic acid, Benzoyl hydroperoxide, Dentavon
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 93-59-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OO |
| InChIKey | XCRBXWCUXJNEFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
过氧苯甲酸 (CAS 93-59-4), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: benzenecarboperoxoic acid.
Chemical Property Profile of 过氧苯甲酸
Property Insights of 过氧苯甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 过氧苯甲酸. With a topological polar surface area (TPSA) of 46.5 Ų, 过氧苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 过氧苯甲酸 has 1 hydrogen bond donor(s) and 3 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 过氧苯甲酸?
The CAS number of 过氧苯甲酸 is 93-59-4.
What is the molecular formula of 过氧苯甲酸?
The molecular formula of 过氧苯甲酸 is C7H6O3.
What is the molecular weight of 过氧苯甲酸?
The molecular weight of 过氧苯甲酸 is 138.03 g/mol.
Where can I buy 过氧苯甲酸?
You can request a quote for 过氧苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 过氧苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 过氧苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.