![4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide structure](/static/products/4780/478050-42-9.webp)
4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
TL;DR: 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide (CAS 478050-42-9) is a chemical compound with molecular formula C12H8BrN3OS and molecular weight 320.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
Also Known As: 4-bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide, 4-[(4-bromophenyl)sulfanyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine, 4-(4-bromophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine, BRD-K62250173-001-12-7, 2-(4-bromophenyl)sulfanyl-9-methyl-7-oxa-3,5,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene
| Molecular Formula | C12H8BrN3OS |
|---|---|
| Molecular Weight | 320.96 g/mol |
| LogP | 3.83992 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.95715 |
| Heavy Atoms | 18 |
| Complexity | 696.11395 |
Chemical Identifiers
| CAS Number | 478050-42-9 |
|---|---|
| SMILES | CC1=NOC2=C1C(=NC=N2)SC3=CC=C(C=C3)Br |
Product Overview
4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide (CAS 478050-42-9), with molecular formula C12H8BrN3OS and molecular weight 320.96 g/mol. IUPAC: 4-(4-bromophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
Property Insights of 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide
The XLogP value of 3.83992 indicates that 4-Bromophenyl 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, 4-Bromophenyl 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, 4-Bromophenyl 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 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
The CAS number of 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide is 478050-42-9.
What is the molecular formula of 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
The molecular formula of 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide is C12H8BrN3OS.
What is the molecular weight of 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
The molecular weight of 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide is 320.96 g/mol.
Where can I buy 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
You can request a quote for 4-Bromophenyl 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 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl 3-methylisoxazolo[5,4-d]pyrimidin-4-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.