N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
TL;DR: N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CAS 332413-15-7) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
Also Known As: BAS 00470352, N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide, N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propanamide, N-(3-Methyl-3H-benzothiazol-2-ylidene)-propionamide, 1-(3-methyl-3-hydrobenzothiazol-2-ylidene)-1-azabutan-2-one
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 332413-15-7 |
|---|---|
| SMILES | CCC(=O)N=C1N(C2=CC=CC=C2S1)C |
| InChIKey | APNFPNVTBGCDEV-UHFFFAOYSA-N |
Product Overview
N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CAS 332413-15-7), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide.
Chemical Property Profile of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
Property Insights of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide. With a topological polar surface area (TPSA) of 58.0 Ų, N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide has 0 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 N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The CAS number of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide is 332413-15-7.
What is the molecular formula of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The molecular formula of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide is C11H12N2OS.
What is the molecular weight of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The molecular weight of N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide is 220.07 g/mol.
Where can I buy N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
You can request a quote for N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methyl-1,3-benzothiazol-2-ylidene)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.