C17H14BrN3O2S
TL;DR: C17H14BrN3O2S (CAS 587000-71-3) is a chemical compound with molecular formula C17H14BrN3O2S and molecular weight 403.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[(E)-1-(4-bromophenyl)ethylideneamino]oxyacetamide
Also Known As: (E)-N-(benzo[d]thiazol-2-yl)-2-(((1-(4-bromophenyl)ethylidene)amino)oxy)acetamide, N~1~-(1,3-BENZOTHIAZOL-2-YL)-2-({[1-(4-BROMOPHENYL)ETHYLIDENE]AMINO}OXY)ACETAMIDE, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-({[(1E)-1-(4-bromophenyl)ethylidene]amino}oxy)acetamide
| Molecular Formula | C17H14BrN3O2S |
|---|---|
| Molecular Weight | 403.00 g/mol |
| LogP | 4.4381 |
| Topological Polar Surface Area | 63.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.99902 |
| Heavy Atoms | 24 |
| Complexity | 857.2469 |
Chemical Identifiers
| CAS Number | 587000-71-3 |
|---|---|
| SMILES | C/C(=N\OCC(=O)NC1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)Br |
Product Overview
C17H14BrN3O2S (CAS 587000-71-3), with molecular formula C17H14BrN3O2S and molecular weight 403.00 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[(E)-1-(4-bromophenyl)ethylideneamino]oxyacetamide.
Chemical Property Profile of C17H14BrN3O2S
Property Insights of C17H14BrN3O2S
The XLogP value of 4.4381 indicates that C17H14BrN3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.58 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H14BrN3O2S. Following Lipinski's Rule of Five, C17H14BrN3O2S has 1 hydrogen bond donor(s) and 5 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 C17H14BrN3O2S?
The CAS number of C17H14BrN3O2S is 587000-71-3.
What is the molecular formula of C17H14BrN3O2S?
The molecular formula of C17H14BrN3O2S is C17H14BrN3O2S.
What is the molecular weight of C17H14BrN3O2S?
The molecular weight of C17H14BrN3O2S is 403.00 g/mol.
Where can I buy C17H14BrN3O2S?
You can request a quote for C17H14BrN3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H14BrN3O2S?
Yes, KEHONG BIO provides custom synthesis services for C17H14BrN3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.