![3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate structure](/static/products/6377/637751-96-3.webp)
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate
TL;DR: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate (CAS 637751-96-3) is a chemical compound with molecular formula C24H25NO5 and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate
Also Known As: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[(2-methyl-1-piperidinyl)methyl]-4H-chromen-4-one, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
| Molecular Formula | C24H25NO5 |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 2.2621 |
| Topological Polar Surface Area | 76.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.17328 |
| Heavy Atoms | 30 |
| Complexity | 1152.2769 |
Chemical Identifiers
| CAS Number | 637751-96-3 |
|---|---|
| SMILES | CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-] |
Product Overview
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate (CAS 637751-96-3), with molecular formula C24H25NO5 and molecular weight 407.17 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate.
Chemical Property Profile of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate
Property Insights of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate
The XLogP value of 2.2621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate. The TPSA of 76.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate. Following Lipinski's Rule of Five, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate has 1 hydrogen bond donor(s) and 5 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 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate?
The CAS number of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate is 637751-96-3.
What is the molecular formula of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate?
The molecular formula of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate is C24H25NO5.
What is the molecular weight of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate?
The molecular weight of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate is 407.17 g/mol.
Where can I buy 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate?
You can request a quote for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.