8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride
TL;DR: 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride (CAS 29035-81-2) is a chemical compound with molecular formula C18H25ClN2O3S and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
Also Known As: 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride, 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-(2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl)-4-methyl-, monohydrochloride, 8-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one hydrochloride(1:1), 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-methyl-1-thi, 1-Thia-4,8-diazaspiro[4.5]decan-3-one,8-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-methyl-, hydrochloride (1:1)
| Molecular Formula | C18H25ClN2O3S |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 2.6356 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.12744 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 29035-81-2 |
|---|---|
| SMILES | CN1C(=O)CSC12CCN(CC2)CCC3COC4=CC=CC=C4O3.Cl |
| InChIKey | DPNJRBPLEODCQF-UHFFFAOYSA-N |
Product Overview
8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride (CAS 29035-81-2), with molecular formula C18H25ClN2O3S and molecular weight 384.13 g/mol. IUPAC: 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride.
Chemical Property Profile of 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride
Property Insights of 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride
The XLogP value of 2.6356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride. Following Lipinski's Rule of Five, 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride has 1 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-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride?
The CAS number of 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride is 29035-81-2.
What is the molecular formula of 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride?
The molecular formula of 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride is C18H25ClN2O3S.
What is the molecular weight of 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride?
The molecular weight of 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride is 384.13 g/mol.
Where can I buy 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride?
You can request a quote for 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride 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-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,4-Benzodioxan-2-ylethyl)-4-methyl-3-oxo-1-thia-4,8-diazaspiro(4.5)decane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.