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5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri
TL;DR: 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri (CAS 31349-87-8) is a chemical compound with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Also Known As: 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri, 5-[(2,5-Dimethylphenyl)methyl]-6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde, 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
| Molecular Formula | C14H14N2O2S |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.45263 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0776 |
| Heavy Atoms | 19 |
| Complexity | 743.8417 |
Chemical Identifiers
| CAS Number | 31349-87-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CC2=C(NC(=S)NC2=O)C=O |
Product Overview
5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri (CAS 31349-87-8), with molecular formula C14H14N2O2S and molecular weight 274.08 g/mol. IUPAC: 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde.
Chemical Property Profile of 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri
Property Insights of 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri
The XLogP value of 2.45263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri. Following Lipinski's Rule of Five, 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri 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-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
The CAS number of 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri is 31349-87-8.
What is the molecular formula of 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
The molecular formula of 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri is C14H14N2O2S.
What is the molecular weight of 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
The molecular weight of 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri is 274.08 g/mol.
Where can I buy 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
You can request a quote for 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2,5-dimethylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyri and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.