6-Methoxy-4-nitro-1,3-benzothiazol-2-amine
TL;DR: 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine (CAS 16586-53-1) is a chemical compound with molecular formula C8H7N3O3S and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-4-nitro-1,3-benzothiazol-2-amine
Also Known As: 6-methoxy-4-nitro-1,3-benzothiazol-2-amine, 2-Benzothiazolamine, 6-methoxy-4-nitro-, 6-Methoxy-4-nitro-2-benzothiazolamine, Benzothiazole, 2-amino-6-methoxy-4-nitro- (8CI), 6-methoxy-4-nitro-benzothiazol-2-amine
| Molecular Formula | C8H7N3O3S |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 1.7953 |
| Topological Polar Surface Area | 91.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.02081 |
| Heavy Atoms | 15 |
| Complexity | 537.15656 |
Chemical Identifiers
| CAS Number | 16586-53-1 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)SC(=N2)N)[N+](=O)[O-] |
Product Overview
6-Methoxy-4-nitro-1,3-benzothiazol-2-amine (CAS 16586-53-1), with molecular formula C8H7N3O3S and molecular weight 225.02 g/mol. IUPAC: 6-methoxy-4-nitro-1,3-benzothiazol-2-amine.
Chemical Property Profile of 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine
Property Insights of 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine
The XLogP value of 1.7953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine. The TPSA of 91.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine. Following Lipinski's Rule of Five, 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine has 1 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 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine?
The CAS number of 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine is 16586-53-1.
What is the molecular formula of 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine?
The molecular formula of 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine is C8H7N3O3S.
What is the molecular weight of 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine?
The molecular weight of 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine is 225.02 g/mol.
Where can I buy 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine?
You can request a quote for 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-4-nitro-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.