2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-
TL;DR: 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- (CAS 83047-59-0) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)penta-2,4-dienal
Also Known As: 5-(1,3-benzodioxol-5-yl)penta-2,4-dienal, 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-, 5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienal, RefChem:246863
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 83047-59-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC=CC=O |
| InChIKey | JGTLDSRAUATRLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- (CAS 83047-59-0), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)penta-2,4-dienal.
Chemical Property Profile of 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-
Property Insights of 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-. With a topological polar surface area (TPSA) of 35.5 Ų, 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- 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 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-?
The CAS number of 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- is 83047-59-0.
What is the molecular formula of 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-?
The molecular formula of 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- is C12H10O3.
What is the molecular weight of 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-?
The molecular weight of 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- is 202.06 g/mol.
Where can I buy 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-?
You can request a quote for 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentadienal, 5-(1,3-benzodioxol-5-yl)-, (E,E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.