1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride
TL;DR: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride (CAS 102395-46-0) is a chemical compound with molecular formula C26H34ClN3O3 and molecular weight 471.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butan-2-yl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
Also Known As: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride, 8-(1,4-Benzodioxan-2-ylmethyl)-3-(2-butyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane hcl, 3-Sec-butyl-8-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride, 2-butan-2-yl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride, 3-(Butan-2-yl)-8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one--hydrogen chloride (1/1)
| Molecular Formula | C26H34ClN3O3 |
|---|---|
| Molecular Weight | 471.23 g/mol |
| LogP | 4.1876 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.22888 |
| Heavy Atoms | 33 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 102395-46-0 |
|---|---|
| SMILES | CCC(C)N1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5.Cl |
| InChIKey | YWOAJRUIISYBGT-UHFFFAOYSA-N |
Product Overview
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride (CAS 102395-46-0), with molecular formula C26H34ClN3O3 and molecular weight 471.23 g/mol. IUPAC: 3-butan-2-yl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
Chemical Property Profile of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride
Property Insights of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride
The XLogP value of 4.1876 indicates that 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, 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 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride?
The CAS number of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride is 102395-46-0.
What is the molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride?
The molecular formula of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride is C26H34ClN3O3.
What is the molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride?
The molecular weight of 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride is 471.23 g/mol.
Where can I buy 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride?
You can request a quote for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1,4-benzodioxan-2-ylmethyl)-3-sec-butyl-1-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.