NCIOpen2_004131
TL;DR: NCIOpen2_004131 (CAS 7144-25-4) is a chemical compound with molecular formula C10H6Cl2N2O2S and molecular weight 287.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dichlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: NCIOpen2_004131, 5-(2,4-dichlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one, 5-(2,4-dichlorophenoxy)-2-thioxo-1H-pyrimidin-4-one, 5-[2,4-bis(chloranyl)phenoxy]-2-sulfanylidene-1H-pyrimidin-4-one, 5-(2,4-Dichlorophenoxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C10H6Cl2N2O2S |
|---|---|
| Molecular Weight | 287.95 g/mol |
| LogP | 3.53159 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.9527 |
| Heavy Atoms | 17 |
| Complexity | 665.8409 |
Chemical Identifiers
| CAS Number | 7144-25-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OC2=CNC(=S)NC2=O |
Product Overview
NCIOpen2_004131 (CAS 7144-25-4), with molecular formula C10H6Cl2N2O2S and molecular weight 287.95 g/mol. IUPAC: 5-(2,4-dichlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of NCIOpen2_004131
Property Insights of NCIOpen2_004131
The XLogP value of 3.53159 indicates that NCIOpen2_004131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.88 Ų, NCIOpen2_004131 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_004131 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_004131?
The CAS number of NCIOpen2_004131 is 7144-25-4.
What is the molecular formula of NCIOpen2_004131?
The molecular formula of NCIOpen2_004131 is C10H6Cl2N2O2S.
What is the molecular weight of NCIOpen2_004131?
The molecular weight of NCIOpen2_004131 is 287.95 g/mol.
Where can I buy NCIOpen2_004131?
You can request a quote for NCIOpen2_004131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_004131?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_004131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.