![3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one structure](/static/products/329/329696-29-9.png)
3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one
TL;DR: 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one (CAS 329696-29-9) is a chemical compound with molecular formula C16H21NOS and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one
Also Known As: BAS 00791406, 3-methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one, 3-Methyl-4-p-tolyl-1-thia-4-aza-spiro[4.5]decan-2-one, 2-methyl-1-(4-methylphenyl)-4-thia-1-azaspiro[4.5]decan-3-one
| Molecular Formula | C16H21NOS |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 4.12372 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.1344 |
| Heavy Atoms | 19 |
| Complexity | 476.02722 |
Chemical Identifiers
| CAS Number | 329696-29-9 |
|---|---|
| SMILES | CC1C(=O)SC2(N1C3=CC=C(C=C3)C)CCCCC2 |
Product Overview
3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one (CAS 329696-29-9), with molecular formula C16H21NOS and molecular weight 275.13 g/mol. IUPAC: 3-methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one.
Chemical Property Profile of 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one
Property Insights of 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one
The XLogP value of 4.12372 indicates that 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one has 0 hydrogen bond donor(s) and 3 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 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one?
The CAS number of 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one is 329696-29-9.
What is the molecular formula of 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one?
The molecular formula of 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one is C16H21NOS.
What is the molecular weight of 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one?
The molecular weight of 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one is 275.13 g/mol.
Where can I buy 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one?
You can request a quote for 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(4-methylphenyl)-1-thia-4-azaspiro[4.5]decan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.