N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine
TL;DR: N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine (CAS 111931-62-5) is a chemical compound with molecular formula C14H8N4O2S2 and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-6-nitro-1,3-benzothiazol-2-amine
Also Known As: N-(1,3-benzothiazol-2-yl)-6-nitro-1,3-benzothiazol-2-amine, 2-Benzothiazolamine, N-2-benzothiazolyl-6-nitro- (en), N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine
| Molecular Formula | C14H8N4O2S2 |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 4.5578 |
| Topological Polar Surface Area | 80.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.00888 |
| Heavy Atoms | 22 |
| Complexity | 975.3506 |
Chemical Identifiers
| CAS Number | 111931-62-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine (CAS 111931-62-5), with molecular formula C14H8N4O2S2 and molecular weight 328.01 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-6-nitro-1,3-benzothiazol-2-amine.
Chemical Property Profile of N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine
Property Insights of N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine
The XLogP value of 4.5578 indicates that N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine. Following Lipinski's Rule of Five, N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine has 1 hydrogen bond donor(s) and 7 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-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine?
The CAS number of N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine is 111931-62-5.
What is the molecular formula of N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine?
The molecular formula of N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine is C14H8N4O2S2.
What is the molecular weight of N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine?
The molecular weight of N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine is 328.01 g/mol.
Where can I buy N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine?
You can request a quote for N-1,3-benzothiazol-2-yl-6-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 N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-1,3-benzothiazol-2-yl-6-nitro-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.