n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine
TL;DR: n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine (CAS 6947-11-1) is a chemical compound with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-1,3-benzothiazol-2-amine
Also Known As: NCIStruc1_000540, NCIStruc2_000526, n-(4-nitrophenyl)-1,3-benzothiazol-2-amine, N-(4-Nitrophenyl)benzothiazole-2-amine, N-(4-NITROPHENYL)BENZOTHIAZOL-2-AMINE
| Molecular Formula | C13H9N3O2S |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.04153 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 6947-11-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZFVXGNGPIXWVEL-UHFFFAOYSA-N |
Product Overview
n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine (CAS 6947-11-1), with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol. IUPAC: N-(4-nitrophenyl)-1,3-benzothiazol-2-amine.
Chemical Property Profile of n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine
Property Insights of n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine
The XLogP value of 4.1 indicates that n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine. Following Lipinski's Rule of Five, n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine has 1 hydrogen bond donor(s) and 5 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 n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine?
The CAS number of n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine is 6947-11-1.
What is the molecular formula of n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine?
The molecular formula of n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine is C13H9N3O2S.
What is the molecular weight of n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine?
The molecular weight of n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine is 271.04 g/mol.
Where can I buy n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine?
You can request a quote for n-(4-Nitrophenyl)-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 n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.