2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride
TL;DR: 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride (CAS 10171-73-0) is a chemical compound with molecular formula C23H32ClN3O4 and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-1,3-dione;hydrochloride
Also Known As: 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride, 2,8-Diazaspiro[4.5]decane-1,3-dione,8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(hexahydro-1H-azepin-1-yl)-,hydrochloride (1:1), 2-(1-Azepanyl)-8-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride, 2,8-Diazaspiro[4.5]decane-1,3-dione, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-(hexahydro-1H-azepin-1-yl)-, hydrochloride (1:1), 2-(Azepan-1-yl)-8-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride
| Molecular Formula | C23H32ClN3O4 |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 2.8803 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.20813 |
| Heavy Atoms | 31 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 10171-73-0 |
|---|---|
| SMILES | C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CC4COC5=CC=CC=C5O4.Cl |
| InChIKey | WYAQPYBCAYDWTH-UHFFFAOYSA-N |
Product Overview
2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride (CAS 10171-73-0), with molecular formula C23H32ClN3O4 and molecular weight 449.21 g/mol. IUPAC: 2-(azepan-1-yl)-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-1,3-dione;hydrochloride.
Chemical Property Profile of 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride
Property Insights of 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride
The XLogP value of 2.8803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride. Following Lipinski's Rule of Five, 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride has 1 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 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride?
The CAS number of 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride is 10171-73-0.
What is the molecular formula of 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride?
The molecular formula of 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride is C23H32ClN3O4.
What is the molecular weight of 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride?
The molecular weight of 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride is 449.21 g/mol.
Where can I buy 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride?
You can request a quote for 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-((1,4-benzodioxan-2-yl)methyl)-2-(1H-hexahydroazepin-1-yl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.