Butylmethoxycyclopenten-1-one
TL;DR: Butylmethoxycyclopenten-1-one (CAS 53690-92-9) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-4-methoxycyclopent-3-en-1-one
Also Known As: BUTYLMETHOXYCYCLOPENTEN-1-ONE, 3-butyl-4-methoxycyclopent-3-en-1-one, 2-Cyclopenten-1-one,4-butyl-3-methoxy-, 2-Cyclopenten-1-one, 4-butyl-3-methoxy-, 3-BUTYL-4-METHOXY-CYCLOPENT-3-EN-1-ONE
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 53690-92-9 |
|---|---|
| SMILES | CCCCC1=C(CC(=O)C1)OC |
| InChIKey | PDNHTHDAWDMUFF-UHFFFAOYSA-N |
Product Overview
Butylmethoxycyclopenten-1-one (CAS 53690-92-9), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 3-butyl-4-methoxycyclopent-3-en-1-one.
Chemical Property Profile of Butylmethoxycyclopenten-1-one
Property Insights of Butylmethoxycyclopenten-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylmethoxycyclopenten-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, Butylmethoxycyclopenten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylmethoxycyclopenten-1-one 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 Butylmethoxycyclopenten-1-one?
The CAS number of Butylmethoxycyclopenten-1-one is 53690-92-9.
What is the molecular formula of Butylmethoxycyclopenten-1-one?
The molecular formula of Butylmethoxycyclopenten-1-one is C10H16O2.
What is the molecular weight of Butylmethoxycyclopenten-1-one?
The molecular weight of Butylmethoxycyclopenten-1-one is 168.12 g/mol.
Where can I buy Butylmethoxycyclopenten-1-one?
You can request a quote for Butylmethoxycyclopenten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylmethoxycyclopenten-1-one?
Yes, KEHONG BIO provides custom synthesis services for Butylmethoxycyclopenten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.