4-Bromo-3-methyl-5-phenylisothiazole
TL;DR: 4-Bromo-3-methyl-5-phenylisothiazole (CAS 1732-51-0) is a chemical compound with molecular formula C10H8BrNS and molecular weight 252.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-methyl-5-phenyl-1,2-thiazole
Also Known As: 4-Bromo-3-methyl-5-phenylisothiazole, 4-bromo-3-methyl-5-phenyl-1,2-thiazole, Isothiazole, 4-bromo-3-methyl-5-phenyl-, 4-Bromo-3-methyl-5-phenylisothiazole #
| Molecular Formula | C10H8BrNS |
|---|---|
| Molecular Weight | 252.96 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.95609 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 1732-51-0 |
|---|---|
| SMILES | CC1=NSC(=C1Br)C2=CC=CC=C2 |
| InChIKey | SPEGVSXOEHGTPT-UHFFFAOYSA-N |
Product Overview
4-Bromo-3-methyl-5-phenylisothiazole (CAS 1732-51-0), with molecular formula C10H8BrNS and molecular weight 252.96 g/mol. IUPAC: 4-bromo-3-methyl-5-phenyl-1,2-thiazole.
Chemical Property Profile of 4-Bromo-3-methyl-5-phenylisothiazole
Property Insights of 4-Bromo-3-methyl-5-phenylisothiazole
The XLogP value of 3.7 indicates that 4-Bromo-3-methyl-5-phenylisothiazole 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-Bromo-3-methyl-5-phenylisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-methyl-5-phenylisothiazole 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-Bromo-3-methyl-5-phenylisothiazole?
The CAS number of 4-Bromo-3-methyl-5-phenylisothiazole is 1732-51-0.
What is the molecular formula of 4-Bromo-3-methyl-5-phenylisothiazole?
The molecular formula of 4-Bromo-3-methyl-5-phenylisothiazole is C10H8BrNS.
What is the molecular weight of 4-Bromo-3-methyl-5-phenylisothiazole?
The molecular weight of 4-Bromo-3-methyl-5-phenylisothiazole is 252.96 g/mol.
Where can I buy 4-Bromo-3-methyl-5-phenylisothiazole?
You can request a quote for 4-Bromo-3-methyl-5-phenylisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-methyl-5-phenylisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-methyl-5-phenylisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.