3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea
TL;DR: 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea (CAS 92964-46-0) is a chemical compound with molecular formula C16H12N6O5 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenyl)-3-(1H-indol-3-ylmethylideneamino)urea
Also Known As: 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea, 1-(2,4-dinitrophenyl)-3-[[(Z)-indol-3-ylidenemethyl]amino]ur
| Molecular Formula | C16H12N6O5 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 3.1399 |
| Topological Polar Surface Area | 155.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.0869 |
| Heavy Atoms | 27 |
| Complexity | 1074.103 |
Chemical Identifiers
| CAS Number | 92964-46-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=NNC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea (CAS 92964-46-0), with molecular formula C16H12N6O5 and molecular weight 368.09 g/mol. IUPAC: 1-(2,4-dinitrophenyl)-3-(1H-indol-3-ylmethylideneamino)urea.
Chemical Property Profile of 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea
Property Insights of 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea
The XLogP value of 3.1399 indicates that 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.56 Ų indicates high polarity, suggesting 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea has 3 hydrogen bond donor(s) and 6 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-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea?
The CAS number of 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea is 92964-46-0.
What is the molecular formula of 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea?
The molecular formula of 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea is C16H12N6O5.
What is the molecular weight of 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea?
The molecular weight of 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea is 368.09 g/mol.
Where can I buy 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea?
You can request a quote for 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dinitrophenyl)-1-(indol-3-ylidenemethylamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.