4-叔丁基苯甲酸锌盐
TL;DR: 4-叔丁基苯甲酸锌盐 (CAS 4980-54-5) is a chemical compound with molecular formula C22H26O4Zn and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-叔丁基苯甲酸锌盐
zinc bis(4-tert-butylbenzoate)
Also Known As: Zinc p-t-butylbenzoate, Zinc p-tert-butylbenzoate, zinc;4-tert-butylbenzoate, zinc 4-tert-butylbenzoate, zinc bis(4-tert-butylbenzoate)
| Molecular Formula | C22H26O4Zn |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 2.69 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.11224 |
| Heavy Atoms | 27 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 4980-54-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Zn+2] |
| InChIKey | LYSLZRDZOBAUFL-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-叔丁基苯甲酸锌盐 (CAS 4980-54-5), with molecular formula C22H26O4Zn and molecular weight 418.11 g/mol. IUPAC: zinc bis(4-tert-butylbenzoate).
Chemical Property Profile of 4-叔丁基苯甲酸锌盐
Property Insights of 4-叔丁基苯甲酸锌盐
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-叔丁基苯甲酸锌盐. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-叔丁基苯甲酸锌盐. Following Lipinski's Rule of Five, 4-叔丁基苯甲酸锌盐 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 4-叔丁基苯甲酸锌盐?
The CAS number of 4-叔丁基苯甲酸锌盐 is 4980-54-5.
What is the molecular formula of 4-叔丁基苯甲酸锌盐?
The molecular formula of 4-叔丁基苯甲酸锌盐 is C22H26O4Zn.
What is the molecular weight of 4-叔丁基苯甲酸锌盐?
The molecular weight of 4-叔丁基苯甲酸锌盐 is 418.11 g/mol.
Where can I buy 4-叔丁基苯甲酸锌盐?
You can request a quote for 4-叔丁基苯甲酸锌盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-叔丁基苯甲酸锌盐?
Yes, KEHONG BIO provides custom synthesis services for 4-叔丁基苯甲酸锌盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.