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2-丁烯酸[1,1'-双环戊基]-2-基酯
TL;DR: 2-丁烯酸[1,1'-双环戊基]-2-基酯 (CAS 68039-73-6) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁烯酸[1,1'-双环戊基]-2-基酯
(2-cyclopentylcyclopentyl) but-2-enoate
Also Known As: Pyroprunat, 2-Cyclopentylcyclopentyl crotonate, 2-Butenoic acid, [1,1'-bicyclopentyl]-2-yl ester, (2-cyclopentylcyclopentyl) but-2-enoate, [1,1'-Bi(cyclopentan)]-2-yl but-2-enoate
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 68039-73-6 |
|---|---|
| SMILES | CC=CC(=O)OC1CCCC1C2CCCC2 |
| InChIKey | IBCFURUUOKXNFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁烯酸[1,1'-双环戊基]-2-基酯 (CAS 68039-73-6), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: (2-cyclopentylcyclopentyl) but-2-enoate.
Chemical Property Profile of 2-丁烯酸[1,1'-双环戊基]-2-基酯
Property Insights of 2-丁烯酸[1,1'-双环戊基]-2-基酯
The XLogP value of 4.3 indicates that 2-丁烯酸[1,1'-双环戊基]-2-基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-丁烯酸[1,1'-双环戊基]-2-基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁烯酸[1,1'-双环戊基]-2-基酯 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 2-丁烯酸[1,1'-双环戊基]-2-基酯?
The CAS number of 2-丁烯酸[1,1'-双环戊基]-2-基酯 is 68039-73-6.
What is the molecular formula of 2-丁烯酸[1,1'-双环戊基]-2-基酯?
The molecular formula of 2-丁烯酸[1,1'-双环戊基]-2-基酯 is C14H22O2.
What is the molecular weight of 2-丁烯酸[1,1'-双环戊基]-2-基酯?
The molecular weight of 2-丁烯酸[1,1'-双环戊基]-2-基酯 is 222.16 g/mol.
Where can I buy 2-丁烯酸[1,1'-双环戊基]-2-基酯?
You can request a quote for 2-丁烯酸[1,1'-双环戊基]-2-基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁烯酸[1,1'-双环戊基]-2-基酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丁烯酸[1,1'-双环戊基]-2-基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.