![(E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate structure](/static/products/6842/684232-03-9.webp)
(E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate
TL;DR: (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate (CAS 684232-03-9) is a chemical compound with molecular formula C17H13BrN2O3S and molecular weight 403.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
Also Known As: F1166-0052, (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate, methyl 4-{[(2E)-6-bromo-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzoate, methyl 4-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
| Molecular Formula | C17H13BrN2O3S |
|---|---|
| Molecular Weight | 403.98 g/mol |
| LogP | 3.53 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.98303 |
| Heavy Atoms | 24 |
| Complexity | 1002.8427 |
Chemical Identifiers
| CAS Number | 684232-03-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
(E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate (CAS 684232-03-9), with molecular formula C17H13BrN2O3S and molecular weight 403.98 g/mol. IUPAC: methyl 4-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate
Property Insights of (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate
The XLogP value of 3.53 indicates that (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate has 0 hydrogen bond donor(s) and 4 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 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate?
The CAS number of (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate is 684232-03-9.
What is the molecular formula of (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate?
The molecular formula of (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate is C17H13BrN2O3S.
What is the molecular weight of (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate?
The molecular weight of (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate is 403.98 g/mol.
Where can I buy (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate?
You can request a quote for (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((6-bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.