1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea
TL;DR: 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea (CAS 72377-05-0) is a chemical compound with molecular formula C17H19N3O3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea
Also Known As: (S)-2-Ethylhexanoic acid, (+)-2-Ethylhexanoic acid, Hexanoic acid, 2-ethyl-, (S)-, 1-(2-methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea, 1-[2-methyl-5-(propan-2-yl)phenyl]-3-(4-nitrophenyl)urea
| Molecular Formula | C17H19N3O3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.14264 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 72377-05-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MWOGFXQEYSUZBC-UHFFFAOYSA-N |
Product Overview
1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea (CAS 72377-05-0), with molecular formula C17H19N3O3 and molecular weight 313.14 g/mol. IUPAC: 1-(2-methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea.
Chemical Property Profile of 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea
Property Insights of 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea
The XLogP value of 3.8 indicates that 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-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 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea?
The CAS number of 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea is 72377-05-0.
What is the molecular formula of 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea?
The molecular formula of 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea is C17H19N3O3.
What is the molecular weight of 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea?
The molecular weight of 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea is 313.14 g/mol.
Where can I buy 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea?
You can request a quote for 1-(2-Methyl-5-propan-2-ylphenyl)-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-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.