7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
TL;DR: 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol (CAS 130669-72-6) is a chemical compound with molecular formula C9H13BrO4 and molecular weight 264.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Also Known As: 7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol, 7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-4,5-diol, 7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxole-4,5-diol
| Molecular Formula | C9H13BrO4 |
|---|---|
| Molecular Weight | 264.00 g/mol |
| LogP | 0.5207 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.99973 |
| Heavy Atoms | 14 |
| Complexity | 275.98553 |
Chemical Identifiers
| CAS Number | 130669-72-6 |
|---|---|
| SMILES | CC1(OC2C(C(C=C(C2O1)Br)O)O)C |
Product Overview
7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol (CAS 130669-72-6), with molecular formula C9H13BrO4 and molecular weight 264.00 g/mol. IUPAC: 7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol.
Chemical Property Profile of 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Property Insights of 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
The XLogP value of 0.5207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol. With a topological polar surface area (TPSA) of 58.92 Ų, 7-Bromo-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, 7-Bromo-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 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
The CAS number of 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol is 130669-72-6.
What is the molecular formula of 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
The molecular formula of 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol is C9H13BrO4.
What is the molecular weight of 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
The molecular weight of 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol is 264.00 g/mol.
Where can I buy 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
You can request a quote for 7-Bromo-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 7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-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.