Cyclotene propionate
TL;DR: Cyclotene propionate (CAS 87-55-8) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-oxocyclopenten-1-yl) propanoate
Also Known As: Cyclotene propionate, 2-Methyl-5-oxocyclopent-1-en-1-yl propionate, null, 2-Methyl-5-oxocyclopent-1-enyl propionate, cyclopentene propionate
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 250.0 |
| Density | 1.092-1.097 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.479-1.484 |
Chemical Identifiers
| CAS Number | 87-55-8 |
|---|---|
| SMILES | CCC(=O)OC1=C(CCC1=O)C |
| InChIKey | NKRMCRMCMGRKHS-UHFFFAOYSA-N |
Product Overview
Cyclotene propionate (CAS 87-55-8), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: (2-methyl-5-oxocyclopenten-1-yl) propanoate.
Chemical Property Profile of Cyclotene propionate
Property Insights of Cyclotene propionate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclotene propionate. With a topological polar surface area (TPSA) of 43.4 Ų, Cyclotene propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclotene propionate has 0 hydrogen bond donor(s) and 3 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 Cyclotene propionate?
The CAS number of Cyclotene propionate is 87-55-8.
What is the molecular formula of Cyclotene propionate?
The molecular formula of Cyclotene propionate is C9H12O3.
What is the molecular weight of Cyclotene propionate?
The molecular weight of Cyclotene propionate is 168.08 g/mol.
Where can I buy Cyclotene propionate?
You can request a quote for Cyclotene propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclotene propionate?
Yes, KEHONG BIO provides custom synthesis services for Cyclotene propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.