N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 structure

N-(4-硝基苯基)-1,3-苯并噻唑-2-胺

TL;DR: N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 (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-硝基苯基)-1,3-苯并噻唑-2-胺

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

CAS: 6947-11-1
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-硝基苯基)-1,3-苯并噻唑-2-胺 (CAS 6947-11-1), with molecular formula C13H9N3O2S and molecular weight 271.04 g/mol. IUPAC: N-(4-nitrophenyl)-1,3-benzothiazol-2-amine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of N-(4-硝基苯基)-1,3-苯并噻唑-2-胺

XLogP
4.1
TPSA (Topological Polar Surface Area)
99.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
19
Complexity
328.0
Exact Mass
271.04153
Monoisotopic Mass
271.04153
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-(4-硝基苯基)-1,3-苯并噻唑-2-胺

The XLogP value of 4.1 indicates that N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 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-硝基苯基)-1,3-苯并噻唑-2-胺. Following Lipinski's Rule of Five, N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 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

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of N-(4-硝基苯基)-1,3-苯并噻唑-2-胺?

The CAS number of N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 is 6947-11-1.

What is the molecular formula of N-(4-硝基苯基)-1,3-苯并噻唑-2-胺?

The molecular formula of N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 is C13H9N3O2S.

What is the molecular weight of N-(4-硝基苯基)-1,3-苯并噻唑-2-胺?

The molecular weight of N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 is 271.04 g/mol.

Where can I buy N-(4-硝基苯基)-1,3-苯并噻唑-2-胺?

You can request a quote for N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for N-(4-硝基苯基)-1,3-苯并噻唑-2-胺?

Yes, KEHONG BIO provides custom synthesis services for N-(4-硝基苯基)-1,3-苯并噻唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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