8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane
TL;DR: 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane (CAS 29135-62-4) is a chemical compound with molecular formula C23H24N2O4S and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
Also Known As: 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane, 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-2-methyl-4-phenyl-, 8-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one, 1-Thia-4,8-diazaspiro(4.5)decan-3-one,8-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-2-methyl-4-phenyl, 1-Thia-4,8-diazaspiro[4.5]decan-3-one,8-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-2-methyl-4-phenyl-
| Molecular Formula | C23H24N2O4S |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.1457 |
| Heavy Atoms | 30 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 29135-62-4 |
|---|---|
| SMILES | CC1C(=O)N(C2(S1)CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C5=CC=CC=C5 |
| InChIKey | HRMNLWXJKZQJRB-UHFFFAOYSA-N |
Product Overview
8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane (CAS 29135-62-4), with molecular formula C23H24N2O4S and molecular weight 424.15 g/mol. IUPAC: 8-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
Chemical Property Profile of 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane
Property Insights of 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane
The XLogP value of 3.6 indicates that 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane. Following Lipinski's Rule of Five, 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane has 0 hydrogen bond donor(s) and 5 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-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane?
The CAS number of 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane is 29135-62-4.
What is the molecular formula of 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane?
The molecular formula of 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane is C23H24N2O4S.
What is the molecular weight of 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane?
The molecular weight of 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane is 424.15 g/mol.
Where can I buy 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane?
You can request a quote for 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,4-Benzodioxan-2-ylcarbonyl)-2-methyl-3-oxo-4-phenyl-1-thia-4,8-diazaspiro(4.5)decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.