4,5-Dibromo-3-methylisothiazole
TL;DR: 4,5-Dibromo-3-methylisothiazole (CAS 1732-55-4) is a chemical compound with molecular formula C4H3Br2NS and molecular weight 254.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dibromo-3-methyl-1,2-thiazole
Also Known As: 4,5-Dibromo-3-methylisothiazole, 4,5-dibromo-3-methyl-isothiazole, 4,5-dibromo-3-methyl-1,2-thiazole, Isothiazole, 4,5-dibromo-3-methyl-, 4,5-Dibromo-3-methylisothiazole #
| Molecular Formula | C4H3Br2NS |
|---|---|
| Molecular Weight | 254.84 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 254.8353 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 1732-55-4 |
|---|---|
| SMILES | CC1=NSC(=C1Br)Br |
| InChIKey | GPXAGAAOWZEJSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dibromo-3-methylisothiazole (CAS 1732-55-4), with molecular formula C4H3Br2NS and molecular weight 254.84 g/mol. IUPAC: 4,5-dibromo-3-methyl-1,2-thiazole.
Chemical Property Profile of 4,5-Dibromo-3-methylisothiazole
Property Insights of 4,5-Dibromo-3-methylisothiazole
The XLogP value of 3.1 indicates that 4,5-Dibromo-3-methylisothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 4,5-Dibromo-3-methylisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dibromo-3-methylisothiazole has 0 hydrogen bond donor(s) and 2 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 4,5-Dibromo-3-methylisothiazole?
The CAS number of 4,5-Dibromo-3-methylisothiazole is 1732-55-4.
What is the molecular formula of 4,5-Dibromo-3-methylisothiazole?
The molecular formula of 4,5-Dibromo-3-methylisothiazole is C4H3Br2NS.
What is the molecular weight of 4,5-Dibromo-3-methylisothiazole?
The molecular weight of 4,5-Dibromo-3-methylisothiazole is 254.84 g/mol.
Where can I buy 4,5-Dibromo-3-methylisothiazole?
You can request a quote for 4,5-Dibromo-3-methylisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dibromo-3-methylisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dibromo-3-methylisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.