RefChem:284271
TL;DR: RefChem:284271 (CAS 135575-57-4) is a chemical compound with molecular formula C21H20BrN5O2S2 and molecular weight 517.0242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 6-bromo-3-(5-((2-hydroxy-3-((2-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-, 6-Bromo-2-methyl-3-[5-[[3-(2-methylanilino)-2-hydroxypropyl]thio]-1,3,4-thiadiazol-2-yl]quinazolin-4(3H)-one, 6-Bromo-3-(5-{[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3H)-one, 6-bromo-3-[5-({2-hydroxy-3-[(2-methylphenyl)amino]propyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methyl-3,4-dihydroquinazolin-4-one, 6-bromo-3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Technical Specifications
| Molecular Formula | C21H20BrN5O2S2 |
| Molecular Weight | 517.0242 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.0242 Da |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
| SMILES | CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)Br)C)O |
| InChIKey | QCTPIIJBUILWLK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:284271
Property Insights of RefChem:284271
The XLogP value of 4.2 indicates that RefChem:284271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:284271 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:284271 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:284271?
The CAS number of RefChem:284271 is 135575-57-4.
What is the molecular formula of RefChem:284271?
The molecular formula of RefChem:284271 is C21H20BrN5O2S2.
What is the molecular weight of RefChem:284271?
The molecular weight of RefChem:284271 is 517.0242 g/mol.
Where can I buy RefChem:284271?
You can request a quote for RefChem:284271 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:284271?
Yes, CoreyChem provides custom synthesis services for RefChem:284271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.