![5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde structure](/static/products/2132/21326-32-9.webp)
5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
TL;DR: 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde (CAS 21326-32-9) is a chemical compound with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Also Known As: 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin, 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde, 5-[(4-Nitrophenyl)methyl]-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
| Molecular Formula | C12H9N3O4S |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 1.74399 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.03137 |
| Heavy Atoms | 20 |
| Complexity | 776.52484 |
Chemical Identifiers
| CAS Number | 21326-32-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=O)[N+](=O)[O-] |
Product Overview
5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde (CAS 21326-32-9), with molecular formula C12H9N3O4S and molecular weight 291.03 g/mol. IUPAC: 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde.
Chemical Property Profile of 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Property Insights of 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
The XLogP value of 1.74399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde. Following Lipinski's Rule of Five, 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde 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 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
The CAS number of 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde is 21326-32-9.
What is the molecular formula of 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
The molecular formula of 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde is C12H9N3O4S.
What is the molecular weight of 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
The molecular weight of 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde is 291.03 g/mol.
Where can I buy 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
You can request a quote for 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.