![5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde structure](/static/products/2132/21326-29-4.webp)
5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
TL;DR: 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde (CAS 21326-29-4) is a chemical compound with molecular formula C12H9ClN2O2S and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Also Known As: 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde, 5-[(2-Chlorophenyl)methyl]-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
| Molecular Formula | C12H9ClN2O2S |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 2.48919 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.00732 |
| Heavy Atoms | 18 |
| Complexity | 705.709 |
Chemical Identifiers
| CAS Number | 21326-29-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=C(NC(=S)NC2=O)C=O)Cl |
Product Overview
5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde (CAS 21326-29-4), with molecular formula C12H9ClN2O2S and molecular weight 280.01 g/mol. IUPAC: 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde.
Chemical Property Profile of 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Property Insights of 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
The XLogP value of 2.48919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde. Following Lipinski's Rule of Five, 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde 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-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
The CAS number of 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde is 21326-29-4.
What is the molecular formula of 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
The molecular formula of 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde is C12H9ClN2O2S.
What is the molecular weight of 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
The molecular weight of 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde is 280.01 g/mol.
Where can I buy 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
You can request a quote for 5-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.