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1-Thia-4-azaspiro[4.5]decan-3-one
TL;DR: 1-Thia-4-azaspiro[4.5]decan-3-one (CAS 4580-63-6) is a chemical compound with molecular formula C8H13NOS and molecular weight 171.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thia-4-azaspiro[4.5]decan-3-one
Also Known As: 1-thia-4-azaspiro[4.5]decan-3-one, thiaazaspiro.decanone, 4-thia-1-azaspiro[4.5]decan-2-one, 3946AE, 1-thia-4-aza-spiro[4.5]decan-3-one
| Molecular Formula | C8H13NOS |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | 1.5098 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.0718 |
| Heavy Atoms | 11 |
| Complexity | 174.93088 |
Chemical Identifiers
| CAS Number | 4580-63-6 |
|---|---|
| SMILES | C1CCC2(CC1)NC(=O)CS2 |
Product Overview
1-Thia-4-azaspiro[4.5]decan-3-one (CAS 4580-63-6), with molecular formula C8H13NOS and molecular weight 171.07 g/mol. IUPAC: 1-thia-4-azaspiro[4.5]decan-3-one.
Chemical Property Profile of 1-Thia-4-azaspiro[4.5]decan-3-one
Property Insights of 1-Thia-4-azaspiro[4.5]decan-3-one
The XLogP value of 1.5098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thia-4-azaspiro[4.5]decan-3-one. With a topological polar surface area (TPSA) of 29.1 Ų, 1-Thia-4-azaspiro[4.5]decan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Thia-4-azaspiro[4.5]decan-3-one has 1 hydrogen bond donor(s) and 2 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-Thia-4-azaspiro[4.5]decan-3-one?
The CAS number of 1-Thia-4-azaspiro[4.5]decan-3-one is 4580-63-6.
What is the molecular formula of 1-Thia-4-azaspiro[4.5]decan-3-one?
The molecular formula of 1-Thia-4-azaspiro[4.5]decan-3-one is C8H13NOS.
What is the molecular weight of 1-Thia-4-azaspiro[4.5]decan-3-one?
The molecular weight of 1-Thia-4-azaspiro[4.5]decan-3-one is 171.07 g/mol.
Where can I buy 1-Thia-4-azaspiro[4.5]decan-3-one?
You can request a quote for 1-Thia-4-azaspiro[4.5]decan-3-one 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-azaspiro[4.5]decan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Thia-4-azaspiro[4.5]decan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.