1,3-Benzodioxole-5-propanal
TL;DR: 1,3-Benzodioxole-5-propanal (CAS 35665-49-7) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)propanal
Also Known As: 1,3-Benzodioxole-5-propanal, Pargonyl, Monomycin sulfate, Piperonyl-azetaldehyd, 3-(1,3-benzodioxol-5-yl)propanal
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 35665-49-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CCC=O |
| InChIKey | IDCKZBGINKOTOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-5-propanal (CAS 35665-49-7), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)propanal.
Chemical Property Profile of 1,3-Benzodioxole-5-propanal
Property Insights of 1,3-Benzodioxole-5-propanal
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-propanal. With a topological polar surface area (TPSA) of 35.5 Ų, 1,3-Benzodioxole-5-propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1,3-Benzodioxole-5-propanal?
The CAS number of 1,3-Benzodioxole-5-propanal is 35665-49-7.
What is the molecular formula of 1,3-Benzodioxole-5-propanal?
The molecular formula of 1,3-Benzodioxole-5-propanal is C10H10O3.
What is the molecular weight of 1,3-Benzodioxole-5-propanal?
The molecular weight of 1,3-Benzodioxole-5-propanal is 178.06 g/mol.
Where can I buy 1,3-Benzodioxole-5-propanal?
You can request a quote for 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 1,3-Benzodioxole-5-propanal?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.