![4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole structure](/static/products/3390/339099-95-5.webp)
4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole
TL;DR: 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole (CAS 339099-95-5) is a chemical compound with molecular formula C12H12BrNOS and molecular weight 296.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
Also Known As: Bionet2_000832, 4-{[(4-bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole, 4-[(4-bromophenyl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole, 4-{[(4-bromophenyl)sulfanyl]methyl}-3,5-dimethyl-1,2-oxazole
| Molecular Formula | C12H12BrNOS |
|---|---|
| Molecular Weight | 296.98 g/mol |
| LogP | 4.34624 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.9823 |
| Heavy Atoms | 16 |
| Complexity | 458.76404 |
Chemical Identifiers
| CAS Number | 339099-95-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CSC2=CC=C(C=C2)Br |
Product Overview
4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole (CAS 339099-95-5), with molecular formula C12H12BrNOS and molecular weight 296.98 g/mol. IUPAC: 4-[(4-bromophenyl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole
Property Insights of 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole
The XLogP value of 4.34624 indicates that 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole has 0 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 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole?
The CAS number of 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole is 339099-95-5.
What is the molecular formula of 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole?
The molecular formula of 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole is C12H12BrNOS.
What is the molecular weight of 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole?
The molecular weight of 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole is 296.98 g/mol.
Where can I buy 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole?
You can request a quote for 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Bromophenyl)sulfanyl]methyl}-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.