7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one
TL;DR: 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one (CAS 705287-02-1) is a chemical compound with molecular formula C12H8N4OS and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-phenyl-2-sulfanylidene-1H-pteridin-4-one
Also Known As: 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one, 7-phenyl-2-sulfanylidene-1H-pteridin-4-one, 7-phenyl-2-sulfanylidene-8H-pteridin-4-one, 7-phenyl-2-thioxo-1,3-dihydropteridin-4-one, 7-Phenyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone #
| Molecular Formula | C12H8N4OS |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 2.04269 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.04187 |
| Heavy Atoms | 18 |
| Complexity | 822.5953 |
Chemical Identifiers
| CAS Number | 705287-02-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN=C3C(=N2)NC(=S)NC3=O |
Product Overview
7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one (CAS 705287-02-1), with molecular formula C12H8N4OS and molecular weight 256.04 g/mol. IUPAC: 7-phenyl-2-sulfanylidene-1H-pteridin-4-one.
Chemical Property Profile of 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one
Property Insights of 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one
The XLogP value of 2.04269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one. Following Lipinski's Rule of Five, 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one 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 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
The CAS number of 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one is 705287-02-1.
What is the molecular formula of 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
The molecular formula of 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one is C12H8N4OS.
What is the molecular weight of 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
The molecular weight of 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one is 256.04 g/mol.
Where can I buy 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
You can request a quote for 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.