RefChem:216945
TL;DR: RefChem:216945 (CAS 96548-05-9) is a chemical compound with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(((2-ethyl-4-quinazolinyl)oxy)methyl)-3-(4-morpholinylmethyl)-, 5-(((2-Ethyl-4-quinazolinyl)oxy)methyl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazole-2(3H)-thione, 5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione, 5-{[(2-Ethylquinazolin-4-yl)oxy]methyl}-3-[(morpholin-4-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione, BRN 5654344
| Molecular Formula | C18H21N5O3S |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.1365 |
| Heavy Atoms | 27 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 96548-05-9 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCOCC4 |
| InChIKey | QBKRJOCDXYTYNZ-UHFFFAOYSA-N |
Product Overview
RefChem:216945 (CAS 96548-05-9), with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol. IUPAC: 5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of RefChem:216945
Property Insights of RefChem:216945
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:216945. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:216945. Following Lipinski's Rule of Five, RefChem:216945 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:216945?
The CAS number of RefChem:216945 is 96548-05-9.
What is the molecular formula of RefChem:216945?
The molecular formula of RefChem:216945 is C18H21N5O3S.
What is the molecular weight of RefChem:216945?
The molecular weight of RefChem:216945 is 387.14 g/mol.
Where can I buy RefChem:216945?
You can request a quote for RefChem:216945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.