5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin
TL;DR: 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin (CAS 21326-35-2) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Also Known As: 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin, 5-[(Naphthalen-1-yl)methyl]-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde, 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 2.98899 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 935.4001 |
Chemical Identifiers
| CAS Number | 21326-35-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC3=C(NC(=S)NC3=O)C=O |
Product Overview
5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin (CAS 21326-35-2), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde.
Chemical Property Profile of 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin
Property Insights of 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin
The XLogP value of 2.98899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin. Following Lipinski's Rule of Five, 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin has 2 hydrogen bond donor(s) and 3 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-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin?
The CAS number of 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin is 21326-35-2.
What is the molecular formula of 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin?
The molecular formula of 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin is C16H12N2O2S.
What is the molecular weight of 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin?
The molecular weight of 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin is 296.06 g/mol.
Where can I buy 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin?
You can request a quote for 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin?
Yes, KEHONG BIO provides custom synthesis services for 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.