Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate
TL;DR: Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate (CAS 6134-74-3) is a chemical compound with molecular formula C22H24O5 and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyl-1-ethoxy-4-methyl-1-oxopentan-2-yl) benzoate
Also Known As: 2-benzoyl-2-4-methylvalericacidethylester, 2-Benzoyl-2- -4-methylvalericacidethylester, ethyl 2-benzoyl-2-(benzoyloxy)-4-methylpentanoate, 1-Benzoyl-1-(ethoxycarbonyl)-3-methylbutyl benzoate, Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate
| Molecular Formula | C22H24O5 |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.16238 |
| Heavy Atoms | 27 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 6134-74-3 |
|---|---|
| SMILES | CCOC(=O)C(CC(C)C)(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | ULPDAHNAELMWEF-UHFFFAOYSA-N |
Product Overview
Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate (CAS 6134-74-3), with molecular formula C22H24O5 and molecular weight 368.16 g/mol. IUPAC: (2-benzoyl-1-ethoxy-4-methyl-1-oxopentan-2-yl) benzoate.
Chemical Property Profile of Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate
Property Insights of Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate
The XLogP value of 5.2 indicates that Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate. Following Lipinski's Rule of Five, Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate?
The CAS number of Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate is 6134-74-3.
What is the molecular formula of Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate?
The molecular formula of Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate is C22H24O5.
What is the molecular weight of Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate?
The molecular weight of Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate is 368.16 g/mol.
Where can I buy Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate?
You can request a quote for Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 2-benzoyl-2-hydroxy-4-methyl-, ethyl ester, benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.