Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-
TL;DR: Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- (CAS 69920-36-1) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
Also Known As: 2-(1,3-Benzodioxol-5-ylmethylene)cyclopentanone, Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-, (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one, RefChem:1082717
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.5517 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 474.0661 |
Chemical Identifiers
| CAS Number | 69920-36-1 |
|---|---|
| SMILES | C1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)C1 |
Product Overview
Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- (CAS 69920-36-1), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one.
Chemical Property Profile of Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-
Property Insights of Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-
The XLogP value of 2.5517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-. With a topological polar surface area (TPSA) of 35.53 Ų, Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- 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 Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
The CAS number of Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- is 69920-36-1.
What is the molecular formula of Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
The molecular formula of Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- is C13H12O3.
What is the molecular weight of Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
The molecular weight of Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- is 216.08 g/mol.
Where can I buy Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
You can request a quote for Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.