![5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one structure](/static/products/2132/21326-07-8.webp)
5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 21326-07-8) is a chemical compound with molecular formula C14H15ClN2O3S and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one, 5-[(3-Chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C14H15ClN2O3S |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 2.96809 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.0492 |
| Heavy Atoms | 21 |
| Complexity | 737.4844 |
Chemical Identifiers
| CAS Number | 21326-07-8 |
|---|---|
| SMILES | COC(C1=C(C(=O)NC(=S)N1)CC2=CC(=CC=C2)Cl)OC |
Product Overview
5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 21326-07-8), with molecular formula C14H15ClN2O3S and molecular weight 326.05 g/mol. IUPAC: 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 2.96809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one. The TPSA of 67.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-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 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 21326-07-8.
What is the molecular formula of 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is C14H15ClN2O3S.
What is the molecular weight of 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one is 326.05 g/mol.
Where can I buy 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-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-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-chlorophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.