RefChem:284117
TL;DR: RefChem:284117 (CAS 74796-86-4) is a chemical compound with molecular formula C21H21N5OS and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(diethylaminomethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinazolin-4-one
Also Known As: 3-(5-((Diethylamino)methyl)-1,3,4-thiadiazol-2-yl)-2-phenyl-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(5-((diethylamino)methyl)-1,3,4-thiadiazol-2-yl)-2-phenyl-, 3-[5-(diethylaminomethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinazolin-4-one, 3-{5-[(Diethylamino)methyl]-1,3,4-thiadiazol-2-yl}-2-phenylquinazolin-4(3H)-one, BRN 1038710
| Molecular Formula | C21H21N5OS |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.14667 |
| Heavy Atoms | 28 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 74796-86-4 |
|---|---|
| SMILES | CCN(CC)CC1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4 |
| InChIKey | SPVZFWRMZHJWAG-UHFFFAOYSA-N |
Product Overview
RefChem:284117 (CAS 74796-86-4), with molecular formula C21H21N5OS and molecular weight 391.15 g/mol. IUPAC: 3-[5-(diethylaminomethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinazolin-4-one.
Chemical Property Profile of RefChem:284117
Property Insights of RefChem:284117
The XLogP value of 3.5 indicates that RefChem:284117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:284117. Following Lipinski's Rule of Five, RefChem:284117 has 0 hydrogen bond donor(s) and 6 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 RefChem:284117?
The CAS number of RefChem:284117 is 74796-86-4.
What is the molecular formula of RefChem:284117?
The molecular formula of RefChem:284117 is C21H21N5OS.
What is the molecular weight of RefChem:284117?
The molecular weight of RefChem:284117 is 391.15 g/mol.
Where can I buy RefChem:284117?
You can request a quote for RefChem:284117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:284117?
Yes, KEHONG BIO provides custom synthesis services for RefChem:284117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.