N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide
TL;DR: N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide (CAS 868375-40-0) 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-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide
Also Known As: N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide, F1814-1728, N-[(2Z)-3-ethyl-4-fluoro-2,3-dihydro-1,3-benzothiazol-2-ylidene]propanamide, (Z)-N-(3-ethyl-4-fluorobenzo[d]thiazol-2(3H)-ylidene)propionamide, N-(3-Ethyl-4-fluorobenzo[d]thiazol-2(3H)-ylidene)propionamide
| Molecular Formula | C12H13FN2OS |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.6991 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07326 |
| Heavy Atoms | 17 |
| Complexity | 626.9576 |
Chemical Identifiers
| CAS Number | 868375-40-0 |
|---|---|
| SMILES | CCC(=O)N=C1N(C2=C(C=CC=C2S1)F)CC |
Product Overview
N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide (CAS 868375-40-0), with molecular formula C12H13FN2OS and molecular weight 252.07 g/mol. IUPAC: N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide.
Chemical Property Profile of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide
Property Insights of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide
The XLogP value of 2.6991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide. With a topological polar surface area (TPSA) of 34.36 Ų, N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-ethyl-4-fluoro-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-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide?
The CAS number of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide is 868375-40-0.
What is the molecular formula of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide?
The molecular formula of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide is C12H13FN2OS.
What is the molecular weight of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide?
The molecular weight of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide is 252.07 g/mol.
Where can I buy N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide?
You can request a quote for N-(3-ethyl-4-fluoro-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-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.