8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate
TL;DR: 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate (CAS 76374-29-3) is a chemical compound with molecular formula C17H21NO6 and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8,9-dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl) benzoate
Also Known As: 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate, 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro[4.5]dec-7-yl benzoate, (7,8-dihydroxy-3,3-dimethyl-1-oxo-4-oxa-2-azaspiro[4.5]decan-9-yl) benzoate, (8,9-dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl) benzoate, 4,8,9-Trihydroxy-2,2-dimethyl-1-oxa-3-azaspiro[4.5]dec-3-en-7-yl benzoate
| Molecular Formula | C17H21NO6 |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.1369 |
| Heavy Atoms | 24 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 76374-29-3 |
|---|---|
| SMILES | CC1(NC(=O)C2(O1)CC(C(C(C2)OC(=O)C3=CC=CC=C3)O)O)C |
| InChIKey | WNEQHZQQABKEQP-UHFFFAOYSA-N |
Product Overview
8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate (CAS 76374-29-3), with molecular formula C17H21NO6 and molecular weight 335.14 g/mol. IUPAC: (8,9-dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl) benzoate.
Chemical Property Profile of 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate
Property Insights of 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate. Following Lipinski's Rule of Five, 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate has 3 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 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate?
The CAS number of 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate is 76374-29-3.
What is the molecular formula of 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate?
The molecular formula of 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate is C17H21NO6.
What is the molecular weight of 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate?
The molecular weight of 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate is 335.14 g/mol.
Where can I buy 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate?
You can request a quote for 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.