Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate
TL;DR: Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate (CAS 67210-67-7) is a chemical compound with molecular formula C18H13NO6 and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-2-oxo-3-pyridin-3-ylchromen-7-yl) acetate
Also Known As: 5,7-Diacetoxy-3-(3-pyridyl)coumarin, 5,7-Dihydroxy-3-(3-pyridyl)coumarin diacetate, COUMARIN, 5,7-DIHYDROXY-3-(3-PYRIDYL)-, DIACETATE, 2-oxo-3-(pyridin-3-yl)-2H-chromene-5,7-diyl diacetate, 7-(acetyloxy)-2-oxo-3-(pyridin-3-yl)-2H-chromen-5-yl acetate
| Molecular Formula | C18H13NO6 |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.07428 |
| Heavy Atoms | 25 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 67210-67-7 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C(C(=O)O2)C3=CN=CC=C3)C(=C1)OC(=O)C |
| InChIKey | WPVQLOGAARNABC-UHFFFAOYSA-N |
Product Overview
Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate (CAS 67210-67-7), with molecular formula C18H13NO6 and molecular weight 339.07 g/mol. IUPAC: (5-acetyloxy-2-oxo-3-pyridin-3-ylchromen-7-yl) acetate.
Chemical Property Profile of Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate
Property Insights of Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate. Following Lipinski's Rule of Five, Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate has 0 hydrogen bond donor(s) and 7 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 Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate?
The CAS number of Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate is 67210-67-7.
What is the molecular formula of Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate?
The molecular formula of Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate is C18H13NO6.
What is the molecular weight of Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate?
The molecular weight of Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate is 339.07 g/mol.
Where can I buy Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate?
You can request a quote for Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 5,7-dihydroxy-3-(3-pyridyl)-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.