(4-Methyl-2-nitrophenyl)urea
TL;DR: (4-Methyl-2-nitrophenyl)urea (CAS 13142-74-0) is a chemical compound with molecular formula C8H9N3O3 and molecular weight 195.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-nitrophenyl)urea
Also Known As: (4-Methyl-2-nitrophenyl)urea, 1-(4-methyl-2-nitrophenyl)urea, 3-nitro-4-ureidotoluene, N-(4-Methyl-2-nitrophenyl)urea, Urea,N-(4-methyl-2-nitrophenyl)-
| Molecular Formula | C8H9N3O3 |
|---|---|
| Molecular Weight | 195.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.06439 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 13142-74-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)N)[N+](=O)[O-] |
| InChIKey | SIJVYJRLCZOLCS-UHFFFAOYSA-N |
Product Overview
(4-Methyl-2-nitrophenyl)urea (CAS 13142-74-0), with molecular formula C8H9N3O3 and molecular weight 195.06 g/mol. IUPAC: (4-methyl-2-nitrophenyl)urea.
Chemical Property Profile of (4-Methyl-2-nitrophenyl)urea
Property Insights of (4-Methyl-2-nitrophenyl)urea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-2-nitrophenyl)urea. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-2-nitrophenyl)urea. Following Lipinski's Rule of Five, (4-Methyl-2-nitrophenyl)urea has 2 hydrogen bond donor(s) and 3 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 (4-Methyl-2-nitrophenyl)urea?
The CAS number of (4-Methyl-2-nitrophenyl)urea is 13142-74-0.
What is the molecular formula of (4-Methyl-2-nitrophenyl)urea?
The molecular formula of (4-Methyl-2-nitrophenyl)urea is C8H9N3O3.
What is the molecular weight of (4-Methyl-2-nitrophenyl)urea?
The molecular weight of (4-Methyl-2-nitrophenyl)urea is 195.06 g/mol.
Where can I buy (4-Methyl-2-nitrophenyl)urea?
You can request a quote for (4-Methyl-2-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-2-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-2-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.