RefChem:283812
TL;DR: RefChem:283812 (CAS 108635-35-4) is a chemical compound with molecular formula C23H15Br2N3O2S2 and molecular weight 586.8972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-methoxyphenyl)quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 2-((benzothiazolylthio)methyl)-6,8-dibromo-3-(2-methoxyphenyl)-, 2-((Benzothiazolylthio)methyl)-6,8-dibromo-3-(2-methoxyphenyl)-4(3H)-quinazolinone, 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-methoxyphenyl)quinazolin-4-one, 2-(benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-methoxyphenyl)quinazolin-4-one, 3-ethyl-2-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-benzothiazolium,iodide
Technical Specifications
| Molecular Formula | C23H15Br2N3O2S2 |
| Molecular Weight | 586.8972 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 588.8952 Da |
| Heavy Atoms | 32 |
| Complexity | 729.0 |
| SMILES | COC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CSC4=NC5=CC=CC=C5S4 |
| InChIKey | MFYYZVZJZNSSSF-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:283812
Property Insights of RefChem:283812
The XLogP value of 6.8 indicates that RefChem:283812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283812. Following Lipinski's Rule of Five, RefChem:283812 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:283812?
The CAS number of RefChem:283812 is 108635-35-4.
What is the molecular formula of RefChem:283812?
The molecular formula of RefChem:283812 is C23H15Br2N3O2S2.
What is the molecular weight of RefChem:283812?
The molecular weight of RefChem:283812 is 586.8972 g/mol.
Where can I buy RefChem:283812?
You can request a quote for RefChem:283812 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:283812?
Yes, CoreyChem provides custom synthesis services for RefChem:283812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.