RefChem:216939
TL;DR: RefChem:216939 (CAS 96546-97-3) is a chemical compound with molecular formula C19H23N5O3S and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(morpholin-4-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 3-(4-morpholinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-, 3-(4-Morpholinylmethyl)-5-(((2-propyl-4-quinazolinyl)oxy)methyl)-1,3,4-oxadiazole-2(3H)-thione, 3-(morpholin-4-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione, 3-[(Morpholin-4-yl)methyl]-5-{[(2-propylquinazolin-4-yl)oxy]methyl}-1,3,4-oxadiazole-2(3H)-thione, BRN 5655295
| Molecular Formula | C19H23N5O3S |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.15216 |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 96546-97-3 |
|---|---|
| SMILES | CCCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCOCC4 |
| InChIKey | MAGXSAMLLDMNOT-UHFFFAOYSA-N |
Product Overview
RefChem:216939 (CAS 96546-97-3), with molecular formula C19H23N5O3S and molecular weight 401.15 g/mol. IUPAC: 3-(morpholin-4-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:216939
Property Insights of RefChem:216939
The XLogP value of 3.2 indicates that RefChem:216939 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:216939. Following Lipinski's Rule of Five, RefChem:216939 has 0 hydrogen bond donor(s) and 8 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:216939?
The CAS number of RefChem:216939 is 96546-97-3.
What is the molecular formula of RefChem:216939?
The molecular formula of RefChem:216939 is C19H23N5O3S.
What is the molecular weight of RefChem:216939?
The molecular weight of RefChem:216939 is 401.15 g/mol.
Where can I buy RefChem:216939?
You can request a quote for RefChem:216939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216939?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.