2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol
TL;DR: 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol (CAS 24506-68-1) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,7,9(13),10-pentaene-5,11-diol
Also Known As: Barakol, 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol, 2,5-dimethyl-8H-pyranol(2,3,4-de)-chromen-8-one, 3aH-Pyrano(2,3,4-de)-1-benzopyran-3a,8-diol, 2,5-dimethyl-, 2,5-dimethyl-3ah-pyrano[2,3,4-de]-1-benzopyran-3a,8-diol
| Molecular Formula | C13H12O4 |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.2245 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.07356 |
| Heavy Atoms | 17 |
| Complexity | 571.02734 |
Chemical Identifiers
| CAS Number | 24506-68-1 |
|---|---|
| SMILES | CC1=CC2=C3C(=CC(=C2)O)OC(=CC3(O1)O)C |
Product Overview
2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol (CAS 24506-68-1), with molecular formula C13H12O4 and molecular weight 232.07 g/mol. IUPAC: 3,7-dimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,7,9(13),10-pentaene-5,11-diol.
Chemical Property Profile of 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol
Property Insights of 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol
The XLogP value of 2.2245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol. With a topological polar surface area (TPSA) of 58.92 Ų, 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol has 2 hydrogen bond donor(s) and 4 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 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol?
The CAS number of 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol is 24506-68-1.
What is the molecular formula of 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol?
The molecular formula of 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol is C13H12O4.
What is the molecular weight of 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol?
The molecular weight of 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol is 232.07 g/mol.
Where can I buy 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol?
You can request a quote for 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-3aH-pyrano(2,3,4-de)-1-benzopyran-3a,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.