N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
TL;DR: N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide (CAS 868375-43-3) is a chemical compound with molecular formula C12H13FN2OS and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
Also Known As: N-[(2Z)-4-fluoro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-methylpropanamide, F1814-1731, N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide, (Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)isobutyramide
| Molecular Formula | C12H13FN2OS |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.4622 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.07326 |
| Heavy Atoms | 17 |
| Complexity | 639.48334 |
Chemical Identifiers
| CAS Number | 868375-43-3 |
|---|---|
| SMILES | CC(C)C(=O)N=C1N(C2=C(C=CC=C2S1)F)C |
Product Overview
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide (CAS 868375-43-3), with molecular formula C12H13FN2OS and molecular weight 252.07 g/mol. IUPAC: N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide.
Chemical Property Profile of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
Property Insights of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
The XLogP value of 2.4622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide. With a topological polar surface area (TPSA) of 34.36 Ų, N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide 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-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The CAS number of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide is 868375-43-3.
What is the molecular formula of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The molecular formula of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide is C12H13FN2OS.
What is the molecular weight of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The molecular weight of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide is 252.07 g/mol.
Where can I buy N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
You can request a quote for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.