2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate
TL;DR: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate (CAS 1556-70-3) is a chemical compound with molecular formula C21H13NO8 and molecular weight 407.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] pyridine-3-carboxylate
Also Known As: Quercetin-nicotinat, EINECS 216-312-7, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate, [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] pyridine-3-carboxylate, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl pyridine-3-carboxylate
| Molecular Formula | C21H13NO8 |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 2.8966 |
| Topological Polar Surface Area | 150.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.06412 |
| Heavy Atoms | 30 |
| Complexity | 1344.9642 |
Chemical Identifiers
| CAS Number | 1556-70-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O |
Product Overview
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate (CAS 1556-70-3), with molecular formula C21H13NO8 and molecular weight 407.06 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] pyridine-3-carboxylate.
Chemical Property Profile of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate
Property Insights of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate
The XLogP value of 2.8966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate. The TPSA of 150.32 Ų indicates high polarity, suggesting 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate has 4 hydrogen bond donor(s) and 9 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-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate?
The CAS number of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate is 1556-70-3.
What is the molecular formula of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate?
The molecular formula of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate is C21H13NO8.
What is the molecular weight of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate?
The molecular weight of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate is 407.06 g/mol.
Where can I buy 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate?
You can request a quote for 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.