Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate
TL;DR: Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate (CAS 865545-20-6) is a chemical compound with molecular formula C17H13N3O5S and molecular weight 371.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate
Also Known As: F1381-1399, methyl (2E)-3-methyl-2-[(3-nitrobenzoyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxylate, methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate, (E)-methyl 3-methyl-2-((3-nitrobenzoyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
| Molecular Formula | C17H13N3O5S |
|---|---|
| Molecular Weight | 371.06 g/mol |
| LogP | 2.6757 |
| Topological Polar Surface Area | 103.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.0576 |
| Heavy Atoms | 26 |
| Complexity | 1113.029 |
Chemical Identifiers
| CAS Number | 865545-20-6 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate (CAS 865545-20-6), with molecular formula C17H13N3O5S and molecular weight 371.06 g/mol. IUPAC: methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate
Property Insights of Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.6757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate. The TPSA of 103.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate 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 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
The CAS number of Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate is 865545-20-6.
What is the molecular formula of Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
The molecular formula of Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate is C17H13N3O5S.
What is the molecular weight of Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
The molecular weight of Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate is 371.06 g/mol.
Where can I buy Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
You can request a quote for Methyl 3-methyl-2-(3-nitrobenzoyl)imino-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 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.