![4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole structure](/static/products/3039/303985-11-7.webp)
4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole
TL;DR: 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole (CAS 303985-11-7) is a chemical compound with molecular formula C12H12BrNO2S and molecular weight 312.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)sulfinylmethyl]-3,5-dimethyl-1,2-oxazole
Also Known As: 11L-540S, 4-{[(4-bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole, 4-[(4-bromophenyl)sulfinylmethyl]-3,5-dimethyl-1,2-oxazole, 4-[(4-bromobenzenesulfinyl)methyl]-3,5-dimethyl-1,2-oxazole
| Molecular Formula | C12H12BrNO2S |
|---|---|
| Molecular Weight | 312.98 g/mol |
| LogP | 3.36174 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.9772 |
| Heavy Atoms | 17 |
| Complexity | 528.6333 |
Chemical Identifiers
| CAS Number | 303985-11-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CS(=O)C2=CC=C(C=C2)Br |
Product Overview
4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole (CAS 303985-11-7), with molecular formula C12H12BrNO2S and molecular weight 312.98 g/mol. IUPAC: 4-[(4-bromophenyl)sulfinylmethyl]-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole
Property Insights of 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole
The XLogP value of 3.36174 indicates that 4-{[(4-Bromophenyl)sulfinyl]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 43.1 Ų, 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(4-Bromophenyl)sulfinyl]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)sulfinyl]methyl}-3,5-dimethylisoxazole?
The CAS number of 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole is 303985-11-7.
What is the molecular formula of 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole?
The molecular formula of 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole is C12H12BrNO2S.
What is the molecular weight of 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole?
The molecular weight of 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole is 312.98 g/mol.
Where can I buy 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole?
You can request a quote for 4-{[(4-Bromophenyl)sulfinyl]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)sulfinyl]methyl}-3,5-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-Bromophenyl)sulfinyl]methyl}-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.