4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one
TL;DR: 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one (CAS 53598-93-9) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-4-(phenylsulfanylmethyl)azetidin-2-one
Also Known As: 4-methyl-4-(phenylsulfanylmethyl)azetidin-2-one, 4-methyl-4-phenylsulfanylmethyl-azetidin-2-one, 4-Methyl-4-[(phenylsulfanyl)methyl]azetidin-2-one, 4-methyl-4-[(phenylthio)methyl]-2-azetidinone, 4-methyl-4-[(phenylthio)methyl]azetidin-2-one
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 53598-93-9 |
|---|---|
| SMILES | CC1(CC(=O)N1)CSC2=CC=CC=C2 |
| InChIKey | HWNBODVECSTPNY-UHFFFAOYSA-N |
Product Overview
4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one (CAS 53598-93-9), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: 4-methyl-4-(phenylsulfanylmethyl)azetidin-2-one.
Chemical Property Profile of 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one
Property Insights of 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-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 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one?
The CAS number of 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one is 53598-93-9.
What is the molecular formula of 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one?
The molecular formula of 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one is C11H13NOS.
What is the molecular weight of 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one?
The molecular weight of 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one is 207.07 g/mol.
Where can I buy 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one?
You can request a quote for 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.