3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one
TL;DR: 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one (CAS 866843-63-2) is a chemical compound with molecular formula C13H10N4OS and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-sulfanylidene-1H-pteridin-4-one
Also Known As: 3-benzyl-2-sulfanylidene-1H-pteridin-4-one, 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one, 3-benzyl-2-sulfanylidene-1,2,3,4-tetrahydropteridin-4-one, F1605-0888
| Molecular Formula | C13H10N4OS |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 1.89739 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.05753 |
| Heavy Atoms | 19 |
| Complexity | 838.3813 |
Chemical Identifiers
| CAS Number | 866843-63-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3NC2=S |
Product Overview
3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one (CAS 866843-63-2), with molecular formula C13H10N4OS and molecular weight 270.06 g/mol. IUPAC: 3-benzyl-2-sulfanylidene-1H-pteridin-4-one.
Chemical Property Profile of 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one
Property Insights of 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one
The XLogP value of 1.89739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one. Following Lipinski's Rule of Five, 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one has 1 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 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
The CAS number of 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one is 866843-63-2.
What is the molecular formula of 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
The molecular formula of 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one is C13H10N4OS.
What is the molecular weight of 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
The molecular weight of 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one is 270.06 g/mol.
Where can I buy 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
You can request a quote for 3-benzyl-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 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-thioxo-2,3-dihydropteridin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.