![2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide structure](/static/products/4780/478050-44-1.webp)
2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
TL;DR: 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide (CAS 478050-44-1) is a chemical compound with molecular formula C12H8ClN3OS and molecular weight 277.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
Also Known As: 2-chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide, 4-(2-chlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine, 4-((2-Chlorophenyl)thio)-3-methylisoxazolo[5,4-d]pyrimidine, 4-[(2-chlorophenyl)sulfanyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine, 4-[(2-chlorophenyl)thio]-3-methyl-isoxazolo[5,4-d]pyrimidine
| Molecular Formula | C12H8ClN3OS |
|---|---|
| Molecular Weight | 277.01 g/mol |
| LogP | 3.73082 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.00766 |
| Heavy Atoms | 18 |
| Complexity | 713.36395 |
Chemical Identifiers
| CAS Number | 478050-44-1 |
|---|---|
| SMILES | CC1=NOC2=C1C(=NC=N2)SC3=CC=CC=C3Cl |
Product Overview
2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide (CAS 478050-44-1), with molecular formula C12H8ClN3OS and molecular weight 277.01 g/mol. IUPAC: 4-(2-chlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
Chemical Property Profile of 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
Property Insights of 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
The XLogP value of 3.73082 indicates that 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.81 Ų, 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide has 0 hydrogen bond donor(s) and 5 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-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
The CAS number of 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide is 478050-44-1.
What is the molecular formula of 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
The molecular formula of 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide is C12H8ClN3OS.
What is the molecular weight of 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
The molecular weight of 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide is 277.01 g/mol.
Where can I buy 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
You can request a quote for 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.