3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate
TL;DR: 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate (CAS 90433-38-8) is a chemical compound with molecular formula C10H12O6S and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) hydrogen sulfate
Also Known As: 3-hydroxy-2,2-dimethyl-7-sulfooxy-3H-benzofuran, (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) hydrogen sulfate, 3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate, 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(hydrogen sulfate), 3,7-Benzofurandiol,2,3-dihydro-2,2-dimethyl-,7-(hydrogen sulfate)
| Molecular Formula | C10H12O6S |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.03546 |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 90433-38-8 |
|---|---|
| SMILES | CC1(C(C2=C(O1)C(=CC=C2)OS(=O)(=O)O)O)C |
| InChIKey | SUKVGWRCZHIOGK-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate (CAS 90433-38-8), with molecular formula C10H12O6S and molecular weight 260.04 g/mol. IUPAC: (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) hydrogen sulfate.
Chemical Property Profile of 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate
Property Insights of 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate. Following Lipinski's Rule of Five, 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate 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-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate?
The CAS number of 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate is 90433-38-8.
What is the molecular formula of 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate?
The molecular formula of 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate is C10H12O6S.
What is the molecular weight of 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate?
The molecular weight of 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate is 260.04 g/mol.
Where can I buy 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate?
You can request a quote for 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.