Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester
TL;DR: Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester (CAS 58175-58-9) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylpentyl 2-propylpentanoate
Also Known As: 2-propylpentyl 2-propylpentanoate, Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester, 1-Pentanol, 2-propyl-, 2-propylvalerate
| Molecular Formula | C16H32O2 |
|---|---|
| Molecular Weight | 256.24 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 256.24023 |
| Heavy Atoms | 18 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 58175-58-9 |
|---|---|
| SMILES | CCCC(CCC)COC(=O)C(CCC)CCC |
| InChIKey | HYECXRALZCEONB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester (CAS 58175-58-9), with molecular formula C16H32O2 and molecular weight 256.24 g/mol. IUPAC: 2-propylpentyl 2-propylpentanoate.
Chemical Property Profile of Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester
Property Insights of Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester
The XLogP value of 6.1 indicates that Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester?
The CAS number of Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester is 58175-58-9.
What is the molecular formula of Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester?
The molecular formula of Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester is C16H32O2.
What is the molecular weight of Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester?
The molecular weight of Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester is 256.24 g/mol.
Where can I buy Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester?
You can request a quote for Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic Acid, 2-propyl-, 2-propylpentyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.