![N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide structure](/static/products/4610/4610-73-5.webp)
N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
TL;DR: N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide (CAS 4610-73-5) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
Also Known As: ChemDiv1_004284, N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide, N-Methyl-N-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]propanamide
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.6848 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 507.89584 |
Chemical Identifiers
| CAS Number | 4610-73-5 |
|---|---|
| SMILES | CCC(=O)N(C)C=C1C(=O)C2=CC=CC=C2S1 |
Product Overview
N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide (CAS 4610-73-5), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide.
Chemical Property Profile of N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
Property Insights of N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
The XLogP value of 2.6848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide. With a topological polar surface area (TPSA) of 37.38 Ų, N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide 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 N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide?
The CAS number of N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide is 4610-73-5.
What is the molecular formula of N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide?
The molecular formula of N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide is C13H13NO2S.
What is the molecular weight of N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide?
The molecular weight of N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide is 247.07 g/mol.
Where can I buy N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide?
You can request a quote for N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.