![2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide structure](/static/products/864/864976-61-4.png)
2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
TL;DR: 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide (CAS 864976-61-4) is a chemical compound with molecular formula C17H14BrN3O4S and molecular weight 434.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
Also Known As: F1359-0940, 2-bromo-N-[(2Z)-3-(2-methoxyethyl)-6-nitro-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide, (Z)-2-bromo-N-(3-(2-methoxyethyl)-6-nitrobenzo[d]thiazol-2(3H)-ylidene)benzamide, 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-benzothiazol-2-ylidene]benzamide
| Molecular Formula | C17H14BrN3O4S |
|---|---|
| Molecular Weight | 434.99 g/mol |
| LogP | 3.761 |
| Topological Polar Surface Area | 86.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.98883 |
| Heavy Atoms | 26 |
| Complexity | 1057.5878 |
Chemical Identifiers
| CAS Number | 864976-61-4 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3Br |
Product Overview
2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide (CAS 864976-61-4), with molecular formula C17H14BrN3O4S and molecular weight 434.99 g/mol. IUPAC: 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide.
Chemical Property Profile of 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
Property Insights of 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
The XLogP value of 3.761 indicates that 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide. Following Lipinski's Rule of Five, 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide has 0 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 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide?
The CAS number of 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide is 864976-61-4.
What is the molecular formula of 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide?
The molecular formula of 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide is C17H14BrN3O4S.
What is the molecular weight of 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide?
The molecular weight of 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide is 434.99 g/mol.
Where can I buy 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide?
You can request a quote for 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.