6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one
TL;DR: 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one (CAS 62209-16-9) is a chemical compound with molecular formula C10H8O5 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dihydroxy-3-(hydroxymethyl)isochromen-1-one
Also Known As: 6,8-dihydroxy-3-hydroxymethylisocoumarin, 6,8-dihydroxy-3-(hydroxymethyl)isochromen-1-one, 3-(Hydroxymethyl)-6,8-dihydroxyisocoumarin, 6,8-dihydroxy-3-hydroxymethyl isocou-marin, 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one
| Molecular Formula | C10H8O5 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 0.6965 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.03717 |
| Heavy Atoms | 15 |
| Complexity | 569.76984 |
Chemical Identifiers
| CAS Number | 62209-16-9 |
|---|---|
| SMILES | C1=C2C=C(OC(=O)C2=C(C=C1O)O)CO |
Product Overview
6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one (CAS 62209-16-9), with molecular formula C10H8O5 and molecular weight 208.04 g/mol. IUPAC: 6,8-dihydroxy-3-(hydroxymethyl)isochromen-1-one.
Chemical Property Profile of 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one
Property Insights of 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one
The XLogP value of 0.6965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one. Following Lipinski's Rule of Five, 6,8-Dihydroxy-3-(hydroxymethyl)-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 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one?
The CAS number of 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one is 62209-16-9.
What is the molecular formula of 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one?
The molecular formula of 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one is C10H8O5.
What is the molecular weight of 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one?
The molecular weight of 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one is 208.04 g/mol.
Where can I buy 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one?
You can request a quote for 6,8-Dihydroxy-3-(hydroxymethyl)-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 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dihydroxy-3-(hydroxymethyl)-1H-2-benzopyran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.