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2-[(叔丁基过氧)羰基]苯甲酸
TL;DR: 2-[(叔丁基过氧)羰基]苯甲酸 (CAS 15042-77-0) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(叔丁基过氧)羰基]苯甲酸
2-tert-butylperoxycarbonylbenzoic acid
Also Known As: tert-Butyl monoperphthalate, NIOSH/TI3485000, 2-[(tert-butylperoxy)carbonyl]benzoic acid, tert-BUTYL PERPHTHALIC ACID, t-butyl o-(carboxy)peroxybenzoate
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 15042-77-0 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | UQSXEMVUGMPGLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(叔丁基过氧)羰基]苯甲酸 (CAS 15042-77-0), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 2-tert-butylperoxycarbonylbenzoic acid.
Chemical Property Profile of 2-[(叔丁基过氧)羰基]苯甲酸
Property Insights of 2-[(叔丁基过氧)羰基]苯甲酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(叔丁基过氧)羰基]苯甲酸. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(叔丁基过氧)羰基]苯甲酸. Following Lipinski's Rule of Five, 2-[(叔丁基过氧)羰基]苯甲酸 has 1 hydrogen bond donor(s) and 5 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 2-[(叔丁基过氧)羰基]苯甲酸?
The CAS number of 2-[(叔丁基过氧)羰基]苯甲酸 is 15042-77-0.
What is the molecular formula of 2-[(叔丁基过氧)羰基]苯甲酸?
The molecular formula of 2-[(叔丁基过氧)羰基]苯甲酸 is C12H14O5.
What is the molecular weight of 2-[(叔丁基过氧)羰基]苯甲酸?
The molecular weight of 2-[(叔丁基过氧)羰基]苯甲酸 is 238.08 g/mol.
Where can I buy 2-[(叔丁基过氧)羰基]苯甲酸?
You can request a quote for 2-[(叔丁基过氧)羰基]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 2-[(叔丁基过氧)羰基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[(叔丁基过氧)羰基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.