1-Hexadecyl-3-(4-nitrophenyl)urea
TL;DR: 1-Hexadecyl-3-(4-nitrophenyl)urea (CAS 69839-80-1) is a chemical compound with molecular formula C23H39N3O3 and molecular weight 405.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexadecyl-3-(4-nitrophenyl)urea
Also Known As: 1-hexadecyl-3-(4-nitrophenyl)urea, 4-piperidin-3-ylaniline, N-Hexadecyl-N'-(4-nitrophenyl)urea
| Molecular Formula | C23H39N3O3 |
|---|---|
| Molecular Weight | 405.30 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 405.29913 |
| Heavy Atoms | 29 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 69839-80-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | OFTKGWZUBGTPJA-UHFFFAOYSA-N |
Product Overview
1-Hexadecyl-3-(4-nitrophenyl)urea (CAS 69839-80-1), with molecular formula C23H39N3O3 and molecular weight 405.30 g/mol. IUPAC: 1-hexadecyl-3-(4-nitrophenyl)urea.
Chemical Property Profile of 1-Hexadecyl-3-(4-nitrophenyl)urea
Property Insights of 1-Hexadecyl-3-(4-nitrophenyl)urea
The XLogP value of 8.5 indicates that 1-Hexadecyl-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-Hexadecyl-3-(4-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-Hexadecyl-3-(4-nitrophenyl)urea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hexadecyl-3-(4-nitrophenyl)urea?
The CAS number of 1-Hexadecyl-3-(4-nitrophenyl)urea is 69839-80-1.
What is the molecular formula of 1-Hexadecyl-3-(4-nitrophenyl)urea?
The molecular formula of 1-Hexadecyl-3-(4-nitrophenyl)urea is C23H39N3O3.
What is the molecular weight of 1-Hexadecyl-3-(4-nitrophenyl)urea?
The molecular weight of 1-Hexadecyl-3-(4-nitrophenyl)urea is 405.30 g/mol.
Where can I buy 1-Hexadecyl-3-(4-nitrophenyl)urea?
You can request a quote for 1-Hexadecyl-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-Hexadecyl-3-(4-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexadecyl-3-(4-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.