N-Methyl-4-(thietan-3-yloxy)-benzamide
TL;DR: N-Methyl-4-(thietan-3-yloxy)-benzamide (CAS 5125-49-5) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-(thietan-3-yloxy)benzamide
Also Known As: BAS 01984696, N-methyl-4-(thietan-3-yloxy)benzamide, N-Methyl-4-(thietan-3-yloxy)-benzamide, N-methyl-4-(3-thietanyloxy)benzamide, N-Methyl-4-[(thietan-3-yl)oxy]benzamide
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.5404 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 346.11047 |
Chemical Identifiers
| CAS Number | 5125-49-5 |
|---|---|
| SMILES | CNC(=O)C1=CC=C(C=C1)OC2CSC2 |
Product Overview
N-Methyl-4-(thietan-3-yloxy)-benzamide (CAS 5125-49-5), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: N-methyl-4-(thietan-3-yloxy)benzamide.
Chemical Property Profile of N-Methyl-4-(thietan-3-yloxy)-benzamide
Property Insights of N-Methyl-4-(thietan-3-yloxy)-benzamide
The XLogP value of 1.5404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-4-(thietan-3-yloxy)-benzamide. With a topological polar surface area (TPSA) of 38.33 Ų, N-Methyl-4-(thietan-3-yloxy)-benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-4-(thietan-3-yloxy)-benzamide has 1 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 N-Methyl-4-(thietan-3-yloxy)-benzamide?
The CAS number of N-Methyl-4-(thietan-3-yloxy)-benzamide is 5125-49-5.
What is the molecular formula of N-Methyl-4-(thietan-3-yloxy)-benzamide?
The molecular formula of N-Methyl-4-(thietan-3-yloxy)-benzamide is C11H13NO2S.
What is the molecular weight of N-Methyl-4-(thietan-3-yloxy)-benzamide?
The molecular weight of N-Methyl-4-(thietan-3-yloxy)-benzamide is 223.07 g/mol.
Where can I buy N-Methyl-4-(thietan-3-yloxy)-benzamide?
You can request a quote for N-Methyl-4-(thietan-3-yloxy)-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-4-(thietan-3-yloxy)-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-4-(thietan-3-yloxy)-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.