Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
TL;DR: Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate (CAS 865545-22-8) 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 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
Also Known As: methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate, F1381-1405, (E)-methyl 2-((3-bromobenzoyl)imino)-3-methyl-2,3-dihydrobenzo[d]thiazole-6-carboxylate, methyl (2E)-2-[(3-bromobenzoyl)imino]-3-methyl-2,3-dihydro-1,3-benzothiazole-6-carboxylate
| 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 | 1020.0927 |
Chemical Identifiers
| CAS Number | 865545-22-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)Br |
Product Overview
Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate (CAS 865545-22-8), with molecular formula C17H13BrN2O3S and molecular weight 403.98 g/mol. IUPAC: methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
Property Insights of Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
The XLogP value of 3.53 indicates that Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate 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 Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate 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 Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate?
The CAS number of Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate is 865545-22-8.
What is the molecular formula of Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate?
The molecular formula of Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate is C17H13BrN2O3S.
What is the molecular weight of Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate?
The molecular weight of Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate is 403.98 g/mol.
Where can I buy Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate?
You can request a quote for Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.