![methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate structure](/static/products/865/865197-89-3.png)
methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
TL;DR: methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate (CAS 865197-89-3) is a chemical compound with molecular formula C19H14BrN3O5S and molecular weight 474.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-bromo-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate
Also Known As: methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, F1366-0697, methyl 2-[6-bromo-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-6-bromo-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]imino}-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Methyl 2-[6-bromo-2-[3-(3-nitrophenyl)prop-2-enoylimino]benzothiazol-3-yl]acetate
| Molecular Formula | C19H14BrN3O5S |
|---|---|
| Molecular Weight | 474.98 g/mol |
| LogP | 3.6872 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.98376 |
| Heavy Atoms | 29 |
| Complexity | 1212.0201 |
Chemical Identifiers
| CAS Number | 865197-89-3 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate (CAS 865197-89-3), with molecular formula C19H14BrN3O5S and molecular weight 474.98 g/mol. IUPAC: methyl 2-[6-bromo-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
Property Insights of methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
The XLogP value of 3.6872 indicates that methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate has 0 hydrogen bond donor(s) and 6 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 methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The CAS number of methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is 865197-89-3.
What is the molecular formula of methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The molecular formula of methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is C19H14BrN3O5S.
What is the molecular weight of methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The molecular weight of methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is 474.98 g/mol.
Where can I buy methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
You can request a quote for methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((Z)-6-bromo-2-(((E)-3-(3-nitrophenyl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.