2-((1-氧代戊基)氧基)苯甲酸
TL;DR: 2-((1-氧代戊基)氧基)苯甲酸 (CAS 64206-54-8) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-((1-氧代戊基)氧基)苯甲酸
2-pentanoyloxybenzoic acid
Also Known As: Valeryl Salicylate, 2-Valeryloxybenzoic acid, Valeroyl Salicylate, Valerylsalicylic acid, Salicylic acid, valerate
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 64206-54-8 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=CC=C1C(=O)O |
| InChIKey | WJHZBTMHUNVIKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((1-氧代戊基)氧基)苯甲酸 (CAS 64206-54-8), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-pentanoyloxybenzoic acid.
Chemical Property Profile of 2-((1-氧代戊基)氧基)苯甲酸
Property Insights of 2-((1-氧代戊基)氧基)苯甲酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-氧代戊基)氧基)苯甲酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-氧代戊基)氧基)苯甲酸. Following Lipinski's Rule of Five, 2-((1-氧代戊基)氧基)苯甲酸 has 1 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 2-((1-氧代戊基)氧基)苯甲酸?
The CAS number of 2-((1-氧代戊基)氧基)苯甲酸 is 64206-54-8.
What is the molecular formula of 2-((1-氧代戊基)氧基)苯甲酸?
The molecular formula of 2-((1-氧代戊基)氧基)苯甲酸 is C12H14O4.
What is the molecular weight of 2-((1-氧代戊基)氧基)苯甲酸?
The molecular weight of 2-((1-氧代戊基)氧基)苯甲酸 is 222.09 g/mol.
Where can I buy 2-((1-氧代戊基)氧基)苯甲酸?
You can request a quote for 2-((1-氧代戊基)氧基)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-((1-氧代戊基)氧基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-氧代戊基)氧基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.