3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one
TL;DR: 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one (CAS 147666-80-6) is a chemical compound with molecular formula C15H10O5 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydroxyphenyl)-8-hydroxyisochromen-1-one
Also Known As: Thunberginol A, 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one, 3-(3,4-dihydroxyphenyl)-8-hydroxyisochromen-1-one, 3-(3,4-dihydroxyphenyl)-8-hydroxy-1H-isochromen-1-one, SID:163563821
| Molecular Formula | C15H10O5 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.5768 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.05283 |
| Heavy Atoms | 20 |
| Complexity | 863.75714 |
Chemical Identifiers
| CAS Number | 147666-80-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)OC(=C2)C3=CC(=C(C=C3)O)O |
Product Overview
3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one (CAS 147666-80-6), with molecular formula C15H10O5 and molecular weight 270.05 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)-8-hydroxyisochromen-1-one.
Chemical Property Profile of 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one
Property Insights of 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one
The XLogP value of 2.5768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one. Following Lipinski's Rule of Five, 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one has 3 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-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one?
The CAS number of 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one is 147666-80-6.
What is the molecular formula of 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one?
The molecular formula of 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one is C15H10O5.
What is the molecular weight of 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one?
The molecular weight of 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one is 270.05 g/mol.
Where can I buy 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one?
You can request a quote for 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.