4-甲基苄基过氧化物
TL;DR: 4-甲基苄基过氧化物 (CAS 7523-31-1) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基苄基过氧化物
1-(hydroperoxymethyl)-4-methylbenzene
Also Known As: 4-Methylbenzyl hydroperoxide, p-Methylbenzyl hydroperoxide, 4-(Hydroperoxymethyl)toluene, 1-(hydroperoxymethyl)-4-methylbenzene, (4-METHYLPHENYL)METHANEPEROXOL
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 7523-31-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COO |
| InChIKey | VCEHMDXCOGIOJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基苄基过氧化物 (CAS 7523-31-1), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 1-(hydroperoxymethyl)-4-methylbenzene.
Chemical Property Profile of 4-甲基苄基过氧化物
Property Insights of 4-甲基苄基过氧化物
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基苄基过氧化物. With a topological polar surface area (TPSA) of 29.5 Ų, 4-甲基苄基过氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基苄基过氧化物 has 1 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 4-甲基苄基过氧化物?
The CAS number of 4-甲基苄基过氧化物 is 7523-31-1.
What is the molecular formula of 4-甲基苄基过氧化物?
The molecular formula of 4-甲基苄基过氧化物 is C8H10O2.
What is the molecular weight of 4-甲基苄基过氧化物?
The molecular weight of 4-甲基苄基过氧化物 is 138.07 g/mol.
Where can I buy 4-甲基苄基过氧化物?
You can request a quote for 4-甲基苄基过氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基苄基过氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基苄基过氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.