2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine
TL;DR: 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine (CAS 723319-55-9) is a chemical compound with molecular formula C21H14N4O2S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine
Also Known As: 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine, 2-(1H-1,3-benzodiazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine, 2-(1H-benzo[d]imidazol-2-yl)-3-(4-nitrophenyl)-4H-benzo[b][1,4]thiazine, F1638-0002, 2-(2-benzimidazolyl)-3-(4-nitrophenyl)-4h-1,4-benzothiazine
| Molecular Formula | C21H14N4O2S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 5.5147 |
| Topological Polar Surface Area | 83.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.08374 |
| Heavy Atoms | 28 |
| Complexity | 1211.7528 |
Chemical Identifiers
| CAS Number | 723319-55-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=C(NC4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine (CAS 723319-55-9), with molecular formula C21H14N4O2S and molecular weight 386.08 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine
Property Insights of 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine
The XLogP value of 5.5147 indicates that 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine is 723319-55-9.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine is C21H14N4O2S.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine is 386.08 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-4H-1,4-benzothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.