5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 42310-30-5) is a chemical compound with molecular formula C10H7ClN2O2S and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: NCIOpen2_004406, Uracil, 5-(p-chlorophenoxy)-2-thio-, 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one, 5-(4-chlorophenoxy)-2-thioxo-1H-pyrimidin-4-one, 5-(4-chlorophenoxy)-2-(mercapto)pyrimidine-4(3H)-one
| Molecular Formula | C10H7ClN2O2S |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 2.87819 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.99167 |
| Heavy Atoms | 16 |
| Complexity | 603.20636 |
Chemical Identifiers
| CAS Number | 42310-30-5 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=CNC(=S)NC2=O)Cl |
Product Overview
5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 42310-30-5), with molecular formula C10H7ClN2O2S and molecular weight 253.99 g/mol. IUPAC: 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 2.87819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one. With a topological polar surface area (TPSA) of 57.88 Ų, 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one 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-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one is 42310-30-5.
What is the molecular formula of 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one is C10H7ClN2O2S.
What is the molecular weight of 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one is 253.99 g/mol.
Where can I buy 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.