N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
TL;DR: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide (CAS 865544-43-0) is a chemical compound with molecular formula C12H13BrN2OS and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
Also Known As: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide, F1381-0504, N-[(2E)-6-bromo-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]propanamide, (E)-N-(6-bromo-3-ethylbenzo[d]thiazol-2(3H)-ylidene)propionamide
| Molecular Formula | C12H13BrN2OS |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | 3.3225 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.9932 |
| Heavy Atoms | 17 |
| Complexity | 626.9576 |
Chemical Identifiers
| CAS Number | 865544-43-0 |
|---|---|
| SMILES | CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC |
Product Overview
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide (CAS 865544-43-0), with molecular formula C12H13BrN2OS and molecular weight 311.99 g/mol. IUPAC: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide.
Chemical Property Profile of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
Property Insights of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
The XLogP value of 3.3225 indicates that N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.36 Ų, N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6-bromo-3-ethyl-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-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
The CAS number of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide is 865544-43-0.
What is the molecular formula of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
The molecular formula of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide is C12H13BrN2OS.
What is the molecular weight of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
The molecular weight of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide is 311.99 g/mol.
Where can I buy N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
You can request a quote for N-(6-bromo-3-ethyl-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-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.