2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
TL;DR: 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol (CAS 130669-76-0) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Also Known As: J3.334.596H, 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol, 2,2-dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-4,5-diol, 2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxole-4,5-diol
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | -0.2019 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 235.7692 |
Chemical Identifiers
| CAS Number | 130669-76-0 |
|---|---|
| SMILES | CC1(OC2C=CC(C(C2O1)O)O)C |
Product Overview
2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol (CAS 130669-76-0), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol.
Chemical Property Profile of 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Property Insights of 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
The XLogP value of -0.2019 indicates that 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.92 Ų, 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-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 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
The CAS number of 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol is 130669-76-0.
What is the molecular formula of 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
The molecular formula of 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol is C9H14O4.
What is the molecular weight of 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
The molecular weight of 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol is 186.09 g/mol.
Where can I buy 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
You can request a quote for 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.