1,1-Dibenzyl-3-(3-nitrophenyl)urea
TL;DR: 1,1-Dibenzyl-3-(3-nitrophenyl)urea (CAS 86764-64-9) is a chemical compound with molecular formula C21H19N3O3 and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibenzyl-3-(3-nitrophenyl)urea
Also Known As: 1,1-dibenzyl-3-(3-nitrophenyl)urea, N,N-Dibenzyl-N'-(3-nitrophenyl)urea, Urea, N'-(3-nitrophenyl)-N,N-bis(phenylmethyl)-, 667-526-6, RefChem:213505
| Molecular Formula | C21H19N3O3 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | 4.8291 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.14264 |
| Heavy Atoms | 27 |
| Complexity | 872.72455 |
Chemical Identifiers
| CAS Number | 86764-64-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1,1-Dibenzyl-3-(3-nitrophenyl)urea (CAS 86764-64-9), with molecular formula C21H19N3O3 and molecular weight 361.14 g/mol. IUPAC: 1,1-dibenzyl-3-(3-nitrophenyl)urea.
Chemical Property Profile of 1,1-Dibenzyl-3-(3-nitrophenyl)urea
Property Insights of 1,1-Dibenzyl-3-(3-nitrophenyl)urea
The XLogP value of 4.8291 indicates that 1,1-Dibenzyl-3-(3-nitrophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dibenzyl-3-(3-nitrophenyl)urea. Following Lipinski's Rule of Five, 1,1-Dibenzyl-3-(3-nitrophenyl)urea has 1 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 1,1-Dibenzyl-3-(3-nitrophenyl)urea?
The CAS number of 1,1-Dibenzyl-3-(3-nitrophenyl)urea is 86764-64-9.
What is the molecular formula of 1,1-Dibenzyl-3-(3-nitrophenyl)urea?
The molecular formula of 1,1-Dibenzyl-3-(3-nitrophenyl)urea is C21H19N3O3.
What is the molecular weight of 1,1-Dibenzyl-3-(3-nitrophenyl)urea?
The molecular weight of 1,1-Dibenzyl-3-(3-nitrophenyl)urea is 361.14 g/mol.
Where can I buy 1,1-Dibenzyl-3-(3-nitrophenyl)urea?
You can request a quote for 1,1-Dibenzyl-3-(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 1,1-Dibenzyl-3-(3-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibenzyl-3-(3-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.