3-Pentylcyclopentyl butyrate
TL;DR: 3-Pentylcyclopentyl butyrate (CAS 84812-68-0) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-pentylcyclopentyl) butanoate
Also Known As: 3-Pentylcyclopentyl butyrate, (3-pentylcyclopentyl) butanoate, EINECS 284-212-0, 3-PENTYLCYCLOPENTYL BUTANOATE, Butyric acid 3-pentylcyclopentyl ester
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 4.0787 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 200.91202 |
Chemical Identifiers
| CAS Number | 84812-68-0 |
|---|---|
| SMILES | CCCCCC1CCC(C1)OC(=O)CCC |
Product Overview
3-Pentylcyclopentyl butyrate (CAS 84812-68-0), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: (3-pentylcyclopentyl) butanoate.
Chemical Property Profile of 3-Pentylcyclopentyl butyrate
Property Insights of 3-Pentylcyclopentyl butyrate
The XLogP value of 4.0787 indicates that 3-Pentylcyclopentyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Pentylcyclopentyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentylcyclopentyl butyrate has 0 hydrogen bond donor(s) and 2 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 3-Pentylcyclopentyl butyrate?
The CAS number of 3-Pentylcyclopentyl butyrate is 84812-68-0.
What is the molecular formula of 3-Pentylcyclopentyl butyrate?
The molecular formula of 3-Pentylcyclopentyl butyrate is C14H26O2.
What is the molecular weight of 3-Pentylcyclopentyl butyrate?
The molecular weight of 3-Pentylcyclopentyl butyrate is 226.19 g/mol.
Where can I buy 3-Pentylcyclopentyl butyrate?
You can request a quote for 3-Pentylcyclopentyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentylcyclopentyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentylcyclopentyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.