1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1)
TL;DR: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) (CAS 29141-64-8) is a chemical compound with molecular formula C25H28N2O7S and molecular weight 500.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;oxalic acid
Also Known As: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1), 8-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one ethanedioate(1:1), 1-Thia-4,8-diazaspiro(4.5)decan-3-one,8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-,ethanedioate (1:1), 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one,oxalic acid, 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-phenyl-4-thia-1,8-diazaspiro[4.5]decan-2-one; oxalic acid
| Molecular Formula | C25H28N2O7S |
|---|---|
| Molecular Weight | 500.16 g/mol |
| LogP | 2.9426 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.1617 |
| Heavy Atoms | 35 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 29141-64-8 |
|---|---|
| SMILES | CC1C(=O)N(C2(S1)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5.C(=O)(C(=O)O)O |
| InChIKey | OAYZUTXIGINWER-UHFFFAOYSA-N |
Product Overview
1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) (CAS 29141-64-8), with molecular formula C25H28N2O7S and molecular weight 500.16 g/mol. IUPAC: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;oxalic acid.
Chemical Property Profile of 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1)
Property Insights of 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1)
The XLogP value of 2.9426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1). The TPSA of 142.0 Ų indicates high polarity, suggesting 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1)?
The CAS number of 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) is 29141-64-8.
What is the molecular formula of 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1)?
The molecular formula of 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) is C25H28N2O7S.
What is the molecular weight of 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1)?
The molecular weight of 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) is 500.16 g/mol.
Where can I buy 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1)?
You can request a quote for 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-2-methyl-4-phenyl-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.