1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
TL;DR: 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea (CAS 444932-33-6) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
Also Known As: 1-(4-methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea, N-{6-nitro-1,3-benzothiazol-2-yl}-N'-(4-methylphenyl)urea, N-(4-METHYLPHENYL)-N'-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)UREA
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 4.15692 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 889.3783 |
Chemical Identifiers
| CAS Number | 444932-33-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea (CAS 444932-33-6), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 1-(4-methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea.
Chemical Property Profile of 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
Property Insights of 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea
The XLogP value of 4.15692 indicates that 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)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-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea has 2 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 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea?
The CAS number of 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea is 444932-33-6.
What is the molecular formula of 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea?
The molecular formula of 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea is C15H12N4O3S.
What is the molecular weight of 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea?
The molecular weight of 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea is 328.06 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea?
You can request a quote for 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-(6-nitro-1,3-benzothiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.