![3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one structure](/static/products/5173/5173-92-2.webp)
3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one
TL;DR: 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one (CAS 5173-92-2) is a chemical compound with molecular formula C16H19NO4S and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylidene-3-(4-methylphenyl)sulfonyl-1-oxa-3-azaspiro[4.5]decan-2-one
Also Known As: 3-Tosyl-4-methylene-1-oxa-3-azaspiro[4.5]decane-2-one, 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one, 1-methylidene-2-(4-methylphenyl)sulfonyl-4-oxa-2-azaspiro[4.5]decan-3-one, 4-Methylene-3-(4-methylphenylsulfonyl)-1-oxa-3-azaspiro[4.5]decan-2-one, 3-(4-methylbenzenesulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one
| Molecular Formula | C16H19NO4S |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.1035 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 5173-92-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=C)C3(CCCCC3)OC2=O |
| InChIKey | YRKMURONLWVFGX-UHFFFAOYSA-N |
Product Overview
3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one (CAS 5173-92-2), with molecular formula C16H19NO4S and molecular weight 321.10 g/mol. IUPAC: 4-methylidene-3-(4-methylphenyl)sulfonyl-1-oxa-3-azaspiro[4.5]decan-2-one.
Chemical Property Profile of 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one
Property Insights of 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one
The XLogP value of 3.3 indicates that 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one. Following Lipinski's Rule of Five, 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one has 0 hydrogen bond donor(s) and 4 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-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one?
The CAS number of 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one is 5173-92-2.
What is the molecular formula of 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one?
The molecular formula of 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one is C16H19NO4S.
What is the molecular weight of 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one?
The molecular weight of 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one is 321.10 g/mol.
Where can I buy 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one?
You can request a quote for 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-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-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylbenzene-1-sulfonyl)-4-methylidene-1-oxa-3-azaspiro[4.5]decan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.