alpha-Methylene-1,3-benzodioxole-5-propanal
TL;DR: alpha-Methylene-1,3-benzodioxole-5-propanal (CAS 54546-95-1) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)prop-2-enal
Also Known As: EINECS 259-212-9, alpha-Methylene-1,3-benzodioxole-5-propionaldehyde, alpha-Methylene-1,3-benzodioxole-5-propanal, 2-(1,3-benzodioxol-5-ylmethyl)prop-2-enal, 1,3-Benzodioxole-5-propanal,a-methylene-
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.7129 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 382.11908 |
Chemical Identifiers
| CAS Number | 54546-95-1 |
|---|---|
| SMILES | C=C(CC1=CC2=C(C=C1)OCO2)C=O |
Product Overview
alpha-Methylene-1,3-benzodioxole-5-propanal (CAS 54546-95-1), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)prop-2-enal.
Chemical Property Profile of alpha-Methylene-1,3-benzodioxole-5-propanal
Property Insights of alpha-Methylene-1,3-benzodioxole-5-propanal
The XLogP value of 1.7129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methylene-1,3-benzodioxole-5-propanal. With a topological polar surface area (TPSA) of 35.53 Ų, alpha-Methylene-1,3-benzodioxole-5-propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methylene-1,3-benzodioxole-5-propanal 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 alpha-Methylene-1,3-benzodioxole-5-propanal?
The CAS number of alpha-Methylene-1,3-benzodioxole-5-propanal is 54546-95-1.
What is the molecular formula of alpha-Methylene-1,3-benzodioxole-5-propanal?
The molecular formula of alpha-Methylene-1,3-benzodioxole-5-propanal is C11H10O3.
What is the molecular weight of alpha-Methylene-1,3-benzodioxole-5-propanal?
The molecular weight of alpha-Methylene-1,3-benzodioxole-5-propanal is 190.06 g/mol.
Where can I buy alpha-Methylene-1,3-benzodioxole-5-propanal?
You can request a quote for alpha-Methylene-1,3-benzodioxole-5-propanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methylene-1,3-benzodioxole-5-propanal?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methylene-1,3-benzodioxole-5-propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.