Butyl cyclopentanecarboxylate
TL;DR: Butyl cyclopentanecarboxylate (CAS 99978-03-7) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl cyclopentanecarboxylate
Also Known As: Butyl cyclopentanecarboxylate, Butylcyclopentanecarboxylate, Butyl cyclopentanecarboxylate #, cyclopentanecarboxylic acid butyl ester, Cyclopentanecarboxylic acid, butyl ester
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 99978-03-7 |
|---|---|
| SMILES | CCCCOC(=O)C1CCCC1 |
| InChIKey | IKCDCPXVBMDVFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl cyclopentanecarboxylate (CAS 99978-03-7), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: butyl cyclopentanecarboxylate.
Chemical Property Profile of Butyl cyclopentanecarboxylate
Property Insights of Butyl cyclopentanecarboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl cyclopentanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl cyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl cyclopentanecarboxylate 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 Butyl cyclopentanecarboxylate?
The CAS number of Butyl cyclopentanecarboxylate is 99978-03-7.
What is the molecular formula of Butyl cyclopentanecarboxylate?
The molecular formula of Butyl cyclopentanecarboxylate is C10H18O2.
What is the molecular weight of Butyl cyclopentanecarboxylate?
The molecular weight of Butyl cyclopentanecarboxylate is 170.13 g/mol.
Where can I buy Butyl cyclopentanecarboxylate?
You can request a quote for Butyl cyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl cyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl cyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.