3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea
TL;DR: 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea (CAS 701946-80-7) is a chemical compound with molecular formula C16H25N3O4 and molecular weight 323.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea
Also Known As: 3-(2-methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea, N,N-DIISOBUTYL-N'-(2-METHOXY-4-NITROPHENYL)UREA, [(2-methoxy-4-nitrophenyl)amino]-N,N-bis(2-methylpropyl)carboxamide
| Molecular Formula | C16H25N3O4 |
|---|---|
| Molecular Weight | 323.18 g/mol |
| LogP | 3.7493 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.1845 |
| Heavy Atoms | 23 |
| Complexity | 548.25635 |
Chemical Identifiers
| CAS Number | 701946-80-7 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC |
Product Overview
3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea (CAS 701946-80-7), with molecular formula C16H25N3O4 and molecular weight 323.18 g/mol. IUPAC: 3-(2-methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea.
Chemical Property Profile of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea
Property Insights of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea
The XLogP value of 3.7493 indicates that 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea. Following Lipinski's Rule of Five, 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea has 1 hydrogen bond donor(s) and 4 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 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea?
The CAS number of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea is 701946-80-7.
What is the molecular formula of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea?
The molecular formula of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea is C16H25N3O4.
What is the molecular weight of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea?
The molecular weight of 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea is 323.18 g/mol.
Where can I buy 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea?
You can request a quote for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methoxy-4-nitrophenyl)-1,1-bis(2-methylpropyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.