![2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole structure](/static/products/926/92693-03-3.png)
2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole
TL;DR: 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole (CAS 92693-03-3) is a chemical compound with molecular formula C13H9F2N3OS and molecular weight 293.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[difluoro-(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole
Also Known As: 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole, J1.299.592J, 2-[difluoro-(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole, 2-{difluoro[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1,3-benzoxazole, 2-[[(4-Methylpyrimidine-2-yl)thio]difluoromethyl]benzoxazole
| Molecular Formula | C13H9F2N3OS |
|---|---|
| Molecular Weight | 293.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.04343 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 92693-03-3 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SC(C2=NC3=CC=CC=C3O2)(F)F |
| InChIKey | VJAIXDQDRKEAAZ-UHFFFAOYSA-N |
Product Overview
2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole (CAS 92693-03-3), with molecular formula C13H9F2N3OS and molecular weight 293.04 g/mol. IUPAC: 2-[difluoro-(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole.
Chemical Property Profile of 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole
Property Insights of 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole
The XLogP value of 3.6 indicates that 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole. Following Lipinski's Rule of Five, 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole has 0 hydrogen bond donor(s) and 7 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 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole?
The CAS number of 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole is 92693-03-3.
What is the molecular formula of 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole?
The molecular formula of 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole is C13H9F2N3OS.
What is the molecular weight of 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole?
The molecular weight of 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole is 293.04 g/mol.
Where can I buy 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole?
You can request a quote for 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.