RefChem:1071829
TL;DR: RefChem:1071829 (CAS 130688-90-3) is a chemical compound with molecular formula C18H14O5 and molecular weight 310.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-6-methoxychromen-4-one
Also Known As: (E)-2,3-Dihydro-3-(1,3-benzodioxol-5-ylmethylene)-6-methoxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3-(1,3-benzodioxol-5-ylmethylene)-6-methoxy-, (E)-, (3E)-3-(1,3-benzodioxol-5-ylmethylene)-6-methoxy-chroman-4-one, (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-6-methoxychromen-4-one, 4H-1-benzopyran-4-one, 3-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-6-methoxy-, (3E)-
Technical Specifications
| Molecular Formula | C18H14O5 |
| Molecular Weight | 310.08414 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.08414 Da |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
| SMILES | COC1=CC2=C(C=C1)OC/C(=C\C3=CC4=C(C=C3)OCO4)/C2=O |
| InChIKey | UUHDVSULFVCGJR-WUXMJOGZSA-N |
Chemical Property Profile of RefChem:1071829
Property Insights of RefChem:1071829
The XLogP value of 3.1 indicates that RefChem:1071829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, RefChem:1071829 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071829 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1071829?
The CAS number of RefChem:1071829 is 130688-90-3.
What is the molecular formula of RefChem:1071829?
The molecular formula of RefChem:1071829 is C18H14O5.
What is the molecular weight of RefChem:1071829?
The molecular weight of RefChem:1071829 is 310.08414 g/mol.
Where can I buy RefChem:1071829?
You can request a quote for RefChem:1071829 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071829?
Yes, CoreyChem provides custom synthesis services for RefChem:1071829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.