Pentyl 3-oxo-2-pentyloctanoate
TL;DR: Pentyl 3-oxo-2-pentyloctanoate (CAS 7695-47-8) is a chemical compound with molecular formula C18H34O3 and molecular weight 298.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 3-oxo-2-pentyloctanoate
Also Known As: pentyl 3-oxo-2-pentyloctanoate, Octanoicacid,3-oxo-2-pentyl-,pentyl ester, Octanoicacid, 3-oxo-2-pentyl-, pentyl ester
| Molecular Formula | C18H34O3 |
|---|---|
| Molecular Weight | 298.25 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 298.2508 |
| Heavy Atoms | 21 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 7695-47-8 |
|---|---|
| SMILES | CCCCCC(C(=O)CCCCC)C(=O)OCCCCC |
| InChIKey | KYKPUHJKKGXGQU-UHFFFAOYSA-N |
Product Overview
Pentyl 3-oxo-2-pentyloctanoate (CAS 7695-47-8), with molecular formula C18H34O3 and molecular weight 298.25 g/mol. IUPAC: pentyl 3-oxo-2-pentyloctanoate.
Chemical Property Profile of Pentyl 3-oxo-2-pentyloctanoate
Property Insights of Pentyl 3-oxo-2-pentyloctanoate
The XLogP value of 6.2 indicates that Pentyl 3-oxo-2-pentyloctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Pentyl 3-oxo-2-pentyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 3-oxo-2-pentyloctanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentyl 3-oxo-2-pentyloctanoate?
The CAS number of Pentyl 3-oxo-2-pentyloctanoate is 7695-47-8.
What is the molecular formula of Pentyl 3-oxo-2-pentyloctanoate?
The molecular formula of Pentyl 3-oxo-2-pentyloctanoate is C18H34O3.
What is the molecular weight of Pentyl 3-oxo-2-pentyloctanoate?
The molecular weight of Pentyl 3-oxo-2-pentyloctanoate is 298.25 g/mol.
Where can I buy Pentyl 3-oxo-2-pentyloctanoate?
You can request a quote for Pentyl 3-oxo-2-pentyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 3-oxo-2-pentyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 3-oxo-2-pentyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.