Pentandioic acid, (p-t-butylphenyl) ester
TL;DR: Pentandioic acid, (p-t-butylphenyl) ester (CAS 212762-88-4) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenoxy)-5-oxopentanoic acid
Also Known As: 5-(4-tert-Butylphenoxy)-5-oxopentanoic acid, Pentandioic acid, (p-t-butylphenyl) ester, 5-(4-tert-Butylphenoxy)-5-oxopentanoic acid #, 5-[4-(tert-Butyl)phenoxy]-5-oxopentanoic Acid
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 212762-88-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)CCCC(=O)O |
| InChIKey | CBNDHYKMKSQAQY-UHFFFAOYSA-N |
Product Overview
Pentandioic acid, (p-t-butylphenyl) ester (CAS 212762-88-4), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 5-(4-tert-butylphenoxy)-5-oxopentanoic acid.
Chemical Property Profile of Pentandioic acid, (p-t-butylphenyl) ester
Property Insights of Pentandioic acid, (p-t-butylphenyl) ester
The XLogP value of 3.1 indicates that Pentandioic acid, (p-t-butylphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentandioic acid, (p-t-butylphenyl) ester. Following Lipinski's Rule of Five, Pentandioic acid, (p-t-butylphenyl) ester 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 Pentandioic acid, (p-t-butylphenyl) ester?
The CAS number of Pentandioic acid, (p-t-butylphenyl) ester is 212762-88-4.
What is the molecular formula of Pentandioic acid, (p-t-butylphenyl) ester?
The molecular formula of Pentandioic acid, (p-t-butylphenyl) ester is C15H20O4.
What is the molecular weight of Pentandioic acid, (p-t-butylphenyl) ester?
The molecular weight of Pentandioic acid, (p-t-butylphenyl) ester is 264.14 g/mol.
Where can I buy Pentandioic acid, (p-t-butylphenyl) ester?
You can request a quote for Pentandioic acid, (p-t-butylphenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentandioic acid, (p-t-butylphenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Pentandioic acid, (p-t-butylphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.