N-butyl-N'-(4-methyl-3-nitrophenyl)urea
TL;DR: N-butyl-N'-(4-methyl-3-nitrophenyl)urea (CAS 26683-54-5) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(4-methyl-3-nitrophenyl)urea
Also Known As: 1-butyl-3-(4-methyl-3-nitrophenyl)urea, 1-butyl-3-(4-methyl-3-nitro-phenyl)urea, N-butyl-N'-(4-methyl-3-nitrophenyl)urea
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 2.82482 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 446.19382 |
Chemical Identifiers
| CAS Number | 26683-54-5 |
|---|---|
| SMILES | CCCCNC(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-] |
Product Overview
N-butyl-N'-(4-methyl-3-nitrophenyl)urea (CAS 26683-54-5), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: 1-butyl-3-(4-methyl-3-nitrophenyl)urea.
Chemical Property Profile of N-butyl-N'-(4-methyl-3-nitrophenyl)urea
Property Insights of N-butyl-N'-(4-methyl-3-nitrophenyl)urea
The XLogP value of 2.82482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-N'-(4-methyl-3-nitrophenyl)urea. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-N'-(4-methyl-3-nitrophenyl)urea. Following Lipinski's Rule of Five, N-butyl-N'-(4-methyl-3-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 N-butyl-N'-(4-methyl-3-nitrophenyl)urea?
The CAS number of N-butyl-N'-(4-methyl-3-nitrophenyl)urea is 26683-54-5.
What is the molecular formula of N-butyl-N'-(4-methyl-3-nitrophenyl)urea?
The molecular formula of N-butyl-N'-(4-methyl-3-nitrophenyl)urea is C12H17N3O3.
What is the molecular weight of N-butyl-N'-(4-methyl-3-nitrophenyl)urea?
The molecular weight of N-butyl-N'-(4-methyl-3-nitrophenyl)urea is 251.13 g/mol.
Where can I buy N-butyl-N'-(4-methyl-3-nitrophenyl)urea?
You can request a quote for N-butyl-N'-(4-methyl-3-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N'-(4-methyl-3-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N'-(4-methyl-3-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.