N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide
TL;DR: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide (CAS 673443-28-2) 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-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide
Also Known As: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide, AP-970/42444748, N-(6-Fluoro-benzothiazol-2-yl)-3-methyl-butyramide
| Molecular Formula | C12H13FN2OS |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 3.42 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07326 |
| Heavy Atoms | 17 |
| Complexity | 550.42926 |
Chemical Identifiers
| CAS Number | 673443-28-2 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=NC2=C(S1)C=C(C=C2)F |
Product Overview
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide (CAS 673443-28-2), with molecular formula C12H13FN2OS and molecular weight 252.07 g/mol. IUPAC: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide.
Chemical Property Profile of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide
Property Insights of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide
The XLogP value of 3.42 indicates that N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide 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-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide?
The CAS number of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide is 673443-28-2.
What is the molecular formula of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide?
The molecular formula of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide is C12H13FN2OS.
What is the molecular weight of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide?
The molecular weight of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide is 252.07 g/mol.
Where can I buy N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide?
You can request a quote for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.