NCIOpen2_004117
TL;DR: NCIOpen2_004117 (CAS 52295-87-1) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenoxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: NCIOpen2_004117, 5-phenoxy-2-sulfanylidene-1H-pyrimidin-4-one, 2-Mercapto-4-hydroxy-5-phenoxy-pyrimidine, 4(1H)-Pyrimidinone, 2,3-dihydro-5-phenoxy-2-thioxo-, 5-Phenoxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.22479 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 559.38025 |
Chemical Identifiers
| CAS Number | 52295-87-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CNC(=S)NC2=O |
Product Overview
NCIOpen2_004117 (CAS 52295-87-1), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: 5-phenoxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of NCIOpen2_004117
Property Insights of NCIOpen2_004117
The XLogP value of 2.22479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_004117. With a topological polar surface area (TPSA) of 57.88 Ų, NCIOpen2_004117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_004117 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 NCIOpen2_004117?
The CAS number of NCIOpen2_004117 is 52295-87-1.
What is the molecular formula of NCIOpen2_004117?
The molecular formula of NCIOpen2_004117 is C10H8N2O2S.
What is the molecular weight of NCIOpen2_004117?
The molecular weight of NCIOpen2_004117 is 220.03 g/mol.
Where can I buy NCIOpen2_004117?
You can request a quote for NCIOpen2_004117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_004117?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_004117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.