Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate
TL;DR: Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate (CAS 865613-59-8) is a chemical compound with molecular formula C15H10N2O4S and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate
Also Known As: methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate, methyl 2-benzothiazol-2-yl-6-nitrobenzoate, methyl 2-(benzo[d]thiazol-2-yl)-6-nitrobenzoate, F1563-0115
| Molecular Formula | C15H10N2O4S |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 3.6581 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.03613 |
| Heavy Atoms | 22 |
| Complexity | 855.13477 |
Chemical Identifiers
| CAS Number | 865613-59-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC=C1[N+](=O)[O-])C2=NC3=CC=CC=C3S2 |
Product Overview
Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate (CAS 865613-59-8), with molecular formula C15H10N2O4S and molecular weight 314.04 g/mol. IUPAC: methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate.
Chemical Property Profile of Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate
Property Insights of Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate
The XLogP value of 3.6581 indicates that Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate 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 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate?
The CAS number of Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate is 865613-59-8.
What is the molecular formula of Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate?
The molecular formula of Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate is C15H10N2O4S.
What is the molecular weight of Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate?
The molecular weight of Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate is 314.04 g/mol.
Where can I buy Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate?
You can request a quote for Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.