3-Cyclopentylpropionic acid, 2-butyl ester
TL;DR: 3-Cyclopentylpropionic acid, 2-butyl ester (CAS 959015-71-5) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 3-cyclopentylpropanoate
Also Known As: sec-Butyl Cypionate, butan-2-yl 3-cyclopentylpropanoate, Sec-butyl 3-cyclopentylpropanoate #, 3-Cyclopentylpropionic acid, 2-butyl ester, Cyclopentanepropanoic Acid 1-Methylpropyl Ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 959015-71-5 |
|---|---|
| SMILES | CCC(C)OC(=O)CCC1CCCC1 |
| InChIKey | ZYHWMUSSGDXTBV-UHFFFAOYSA-N |
Product Overview
3-Cyclopentylpropionic acid, 2-butyl ester (CAS 959015-71-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: butan-2-yl 3-cyclopentylpropanoate.
Chemical Property Profile of 3-Cyclopentylpropionic acid, 2-butyl ester
Property Insights of 3-Cyclopentylpropionic acid, 2-butyl ester
The XLogP value of 3.9 indicates that 3-Cyclopentylpropionic acid, 2-butyl 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, 3-Cyclopentylpropionic acid, 2-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclopentylpropionic acid, 2-butyl ester 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-Cyclopentylpropionic acid, 2-butyl ester?
The CAS number of 3-Cyclopentylpropionic acid, 2-butyl ester is 959015-71-5.
What is the molecular formula of 3-Cyclopentylpropionic acid, 2-butyl ester?
The molecular formula of 3-Cyclopentylpropionic acid, 2-butyl ester is C12H22O2.
What is the molecular weight of 3-Cyclopentylpropionic acid, 2-butyl ester?
The molecular weight of 3-Cyclopentylpropionic acid, 2-butyl ester is 198.16 g/mol.
Where can I buy 3-Cyclopentylpropionic acid, 2-butyl ester?
You can request a quote for 3-Cyclopentylpropionic acid, 2-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclopentylpropionic acid, 2-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclopentylpropionic acid, 2-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.