4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone
TL;DR: 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone (CAS 207290-47-9) is a chemical compound with molecular formula C18H20N4O3S and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(4-nitrophenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
Also Known As: 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone, 1-[(E)-(4-nitrophenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea, A0916/0042841, 1-(4-isopropoxybenzyl)-3-[(4-nitrobenzylidene)amino]thiourea, 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone #
| Molecular Formula | C18H20N4O3S |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 3.3802 |
| Topological Polar Surface Area | 88.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.1256 |
| Heavy Atoms | 26 |
| Complexity | 774.02814 |
Chemical Identifiers
| CAS Number | 207290-47-9 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone (CAS 207290-47-9), with molecular formula C18H20N4O3S and molecular weight 372.13 g/mol. IUPAC: 1-[(E)-(4-nitrophenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea.
Chemical Property Profile of 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone
Property Insights of 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone
The XLogP value of 3.3802 indicates that 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone. Following Lipinski's Rule of Five, 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone has 2 hydrogen bond donor(s) and 5 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 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone?
The CAS number of 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone is 207290-47-9.
What is the molecular formula of 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone?
The molecular formula of 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone is C18H20N4O3S.
What is the molecular weight of 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone?
The molecular weight of 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone is 372.13 g/mol.
Where can I buy 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone?
You can request a quote for 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.