8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl
TL;DR: 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl (CAS 2902-60-5) is a chemical compound with molecular formula C23H27ClN2O4S and molecular weight 462.14 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)-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
Also Known As: 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl, 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(4-methoxyphenyl)-, monohydrochloride, 8-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one hydrochloride(1:1), 1-Thia-4,8-diazaspiro[4.5]decan-3-one,8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-methoxyphenyl)-,hydrochloride (1:1), 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methoxyphenyl)-4-thia-1,8-diazaspiro[4.5]decan-2-one hydrochloride
| Molecular Formula | C23H27ClN2O4S |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 3.8289 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.138 |
| Heavy Atoms | 31 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 2902-60-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)CSC23CCN(CC3)CC4COC5=CC=CC=C5O4.Cl |
| InChIKey | OLIUYQMGIYVENQ-UHFFFAOYSA-N |
Product Overview
8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl (CAS 2902-60-5), with molecular formula C23H27ClN2O4S and molecular weight 462.14 g/mol. IUPAC: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride.
Chemical Property Profile of 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl
Property Insights of 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl
The XLogP value of 3.8289 indicates that 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl. Following Lipinski's Rule of Five, 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl 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 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl?
The CAS number of 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl is 2902-60-5.
What is the molecular formula of 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl?
The molecular formula of 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl is C23H27ClN2O4S.
What is the molecular weight of 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl?
The molecular weight of 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl is 462.14 g/mol.
Where can I buy 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl?
You can request a quote for 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl 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-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,4-Benzodioxan-2-ylmethyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.