![(Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate structure](/static/products/1164/1164465-77-3.webp)
(Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
TL;DR: (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate (CAS 1164465-77-3) is a chemical compound with molecular formula C15H10BrN3O5S2 and molecular weight 454.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-bromo-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
Also Known As: (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, methyl 2-[6-bromo-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate, methyl 2-[(2Z)-6-bromo-2-[(5-nitrothiophene-2-carbonyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, Methyl 2-[6-bromo-2-(5-nitrothiophene-2-carbonyl)imino-benzothiazol-3-yl]acetate
| Molecular Formula | C15H10BrN3O5S2 |
|---|---|
| Molecular Weight | 454.92 g/mol |
| LogP | 3.3491 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.92453 |
| Heavy Atoms | 26 |
| Complexity | 1098.3357 |
Chemical Identifiers
| CAS Number | 1164465-77-3 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
(Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate (CAS 1164465-77-3), with molecular formula C15H10BrN3O5S2 and molecular weight 454.92 g/mol. IUPAC: methyl 2-[6-bromo-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
Property Insights of (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
The XLogP value of 3.3491 indicates that (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)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 (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate has 0 hydrogen bond donor(s) and 7 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 (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The CAS number of (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is 1164465-77-3.
What is the molecular formula of (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The molecular formula of (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is C15H10BrN3O5S2.
What is the molecular weight of (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
The molecular weight of (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate is 454.92 g/mol.
Where can I buy (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
You can request a quote for (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)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 (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(6-bromo-2-((5-nitrothiophene-2-carbonyl)imino)benzo[d]thiazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.