1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea
TL;DR: 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea (CAS 56913-82-7) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea
Also Known As: 1-(4-nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea, N-{4-nitrophenyl}-N'-(4-pyridinylmethyl)thiourea, N-(4-nitrophenyl)-N'-(4-pyridinylmethyl)thiourea, 1-(p-nitrophenyl)-3-(4-pyridylmethyl)-2-thiourea, N-(4-NITROPHENYL)-N'-(4-PYRIDYLMETHYL)THIOUREA
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.4764 |
| Topological Polar Surface Area | 80.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 601.528 |
Chemical Identifiers
| CAS Number | 56913-82-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NCC2=CC=NC=C2)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea (CAS 56913-82-7), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: 1-(4-nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea.
Chemical Property Profile of 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea
Property Insights of 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea
The XLogP value of 2.4764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea. The TPSA of 80.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea has 2 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 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea?
The CAS number of 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea is 56913-82-7.
What is the molecular formula of 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea?
The molecular formula of 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea is C13H12N4O2S.
What is the molecular weight of 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea?
The molecular weight of 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea is 288.07 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea?
You can request a quote for 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-3-(pyridin-4-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.