RefChem:284114
TL;DR: RefChem:284114 (CAS 135575-53-0) is a chemical compound with molecular formula C20H19N5O2S2 and molecular weight 425.09802 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-(3-anilino-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(5-((2-hydroxy-3-(phenylamino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-, 3-[5-(3-anilino-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one, 2-Methyl-3-[5-[[3-anilino-2-hydroxypropyl]thio]-1,3,4-thiadiazol-2-yl]quinazolin-4(3H)-one, 3-(5-{[2-hydroxy-3-(phenylamino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methyl-3,4-dihydroquinazolin-4-one, 3-(5-{[2-hydroxy-3-(phenylamino)propyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3h)-one
Technical Specifications
| Molecular Formula | C20H19N5O2S2 |
| Molecular Weight | 425.09802 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.09802 Da |
| Heavy Atoms | 29 |
| Complexity | 601.0 |
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=NN=C(S3)SCC(CNC4=CC=CC=C4)O |
| InChIKey | XYDXPGDNFPDJKD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:284114
Property Insights of RefChem:284114
The XLogP value of 3.1 indicates that RefChem:284114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:284114 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:284114 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:284114?
The CAS number of RefChem:284114 is 135575-53-0.
What is the molecular formula of RefChem:284114?
The molecular formula of RefChem:284114 is C20H19N5O2S2.
What is the molecular weight of RefChem:284114?
The molecular weight of RefChem:284114 is 425.09802 g/mol.
Where can I buy RefChem:284114?
You can request a quote for RefChem:284114 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:284114?
Yes, CoreyChem provides custom synthesis services for RefChem:284114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.