![1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea structure](/static/products/2613/26135-57-9.webp)
1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea
TL;DR: 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea (CAS 26135-57-9) is a chemical compound with molecular formula C18H12N4O3S and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea
Also Known As: 1-(naphtho[1,2-d]thiazol-2-yl)-3-(4-nitrophenyl)urea, 1-benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea, AB00684337-01, F0466-0380, 3-{naphtho[1,2-d][1,3]thiazol-2-yl}-1-(4-nitrophenyl)urea
| Molecular Formula | C18H12N4O3S |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 5.0017 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.06302 |
| Heavy Atoms | 26 |
| Complexity | 1138.3167 |
Chemical Identifiers
| CAS Number | 26135-57-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea (CAS 26135-57-9), with molecular formula C18H12N4O3S and molecular weight 364.06 g/mol. IUPAC: 1-benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea.
Chemical Property Profile of 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea
Property Insights of 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea
The XLogP value of 5.0017 indicates that 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea 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 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea?
The CAS number of 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea is 26135-57-9.
What is the molecular formula of 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea?
The molecular formula of 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea is C18H12N4O3S.
What is the molecular weight of 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea?
The molecular weight of 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea is 364.06 g/mol.
Where can I buy 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea?
You can request a quote for 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.