5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one
TL;DR: 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one (CAS 16781-68-3) is a chemical compound with molecular formula C14H13BrN2O2S and molecular weight 351.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-bromophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
Also Known As: BAS 00395328, 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one, AB00083383-01, AH-487/34799026, 5-[(4-Bromophenyl)methylene]-2-(4-morpholinyl)-4(5H)-thiazolone
| Molecular Formula | C14H13BrN2O2S |
|---|---|
| Molecular Weight | 351.99 g/mol |
| LogP | 2.7516 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.9881 |
| Heavy Atoms | 20 |
| Complexity | 577.3416 |
Chemical Identifiers
| CAS Number | 16781-68-3 |
|---|---|
| SMILES | C1COCCN1C2=NC(=O)/C(=C/C3=CC=C(C=C3)Br)/S2 |
Product Overview
5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one (CAS 16781-68-3), with molecular formula C14H13BrN2O2S and molecular weight 351.99 g/mol. IUPAC: (5Z)-5-[(4-bromophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
Chemical Property Profile of 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one
Property Insights of 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one
The XLogP value of 2.7516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one. With a topological polar surface area (TPSA) of 41.9 Ų, 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one has 0 hydrogen bond donor(s) and 4 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 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one?
The CAS number of 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one is 16781-68-3.
What is the molecular formula of 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one?
The molecular formula of 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one is C14H13BrN2O2S.
What is the molecular weight of 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one?
The molecular weight of 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one is 351.99 g/mol.
Where can I buy 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one?
You can request a quote for 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Bromo-benzylidene)-2-morpholin-4-yl-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.