![(E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate structure](/static/products/865/865249-11-2.png)
(E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
TL;DR: (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate (CAS 865249-11-2) is a chemical compound with molecular formula C17H12FN3O5S and molecular weight 389.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-fluoro-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, F1366-4844, methyl 2-[4-fluoro-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2E)-4-fluoro-2-[(2-nitrobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C17H12FN3O5S |
|---|---|
| Molecular Weight | 389.05 g/mol |
| LogP | 2.6642 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.04816 |
| Heavy Atoms | 27 |
| Complexity | 1135.0444 |
Chemical Identifiers
| CAS Number | 865249-11-2 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])F |
Product Overview
(E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate (CAS 865249-11-2), with molecular formula C17H12FN3O5S and molecular weight 389.05 g/mol. IUPAC: methyl 2-[4-fluoro-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
Property Insights of (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
The XLogP value of 2.6642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)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 (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The CAS number of (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is 865249-11-2.
What is the molecular formula of (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The molecular formula of (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is C17H12FN3O5S.
What is the molecular weight of (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The molecular weight of (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is 389.05 g/mol.
Where can I buy (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
You can request a quote for (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)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 (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(4-fluoro-2-((2-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.