3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one
TL;DR: 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one (CAS 52972-07-3) is a chemical compound with molecular formula C16H16O6 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dihydroxy-2',5'-dimethoxy-3'-methylspiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one, 1-Ethyl-3,5-bis(hydroxymethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, Spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one, 3,7-dihydroxy-3',6'-dimethoxy-2'-methyl-, 3,7-dihydroxy-2',5'-dimethoxy-3'-methylspiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one, 3,7-Dihydroxy-3',6'-dimethoxy-2'-methyl-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,5]dien]-4'-one
| Molecular Formula | C16H16O6 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0947 |
| Heavy Atoms | 22 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 52972-07-3 |
|---|---|
| SMILES | CC1=C(C(=O)C=C(C12C(C3=C(O2)C(=CC=C3)O)O)OC)OC |
| InChIKey | YFCWZPOQYQZTJW-UHFFFAOYSA-N |
Product Overview
3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one (CAS 52972-07-3), with molecular formula C16H16O6 and molecular weight 304.09 g/mol. IUPAC: 3,7-dihydroxy-2',5'-dimethoxy-3'-methylspiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one
Property Insights of 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one. Following Lipinski's Rule of Five, 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one has 2 hydrogen bond donor(s) and 6 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 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one?
The CAS number of 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one is 52972-07-3.
What is the molecular formula of 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one?
The molecular formula of 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one is C16H16O6.
What is the molecular weight of 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one?
The molecular weight of 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one is 304.09 g/mol.
Where can I buy 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one?
You can request a quote for 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydroxy-3',6'-dimethoxy-2'-methylspiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-4'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.