5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol
TL;DR: 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol (CAS 862104-74-3) is a chemical compound with molecular formula C12H11FN2OS and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: starbld0015127, 5-(4-fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol, 5-(4-fluorobenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol, 5-[(4-fluorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one, 5-[(4-FLUOROPHENYL)METHYL]-6-METHYL-2-SULFANYLPYRIMIDIN-4-OL
| Molecular Formula | C12H11FN2OS |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.05762 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 862104-74-3 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)F |
| InChIKey | FQTSAGYEEWAYQZ-UHFFFAOYSA-N |
Product Overview
5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol (CAS 862104-74-3), with molecular formula C12H11FN2OS and molecular weight 250.06 g/mol. IUPAC: 5-[(4-fluorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol
Property Insights of 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol. Following Lipinski's Rule of Five, 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol 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-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol?
The CAS number of 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol is 862104-74-3.
What is the molecular formula of 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol?
The molecular formula of 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol is C12H11FN2OS.
What is the molecular weight of 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol?
The molecular weight of 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol is 250.06 g/mol.
Where can I buy 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol?
You can request a quote for 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorobenzyl)-2-mercapto-6-methylpyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.