RefChem:283871
TL;DR: RefChem:283871 (CAS 40889-63-2) is a chemical compound with molecular formula C19H17N5O2 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 2-methyl-3-((5-((4-methylphenyl)amino)-1,3,4-oxadiazol-2-yl)methyl)-, 2-Methyl-3-((5-((4-methylphenyl)amino)-1,3,4-oxadiazol-2-yl)methyl)-4(3H)-quinazolinone, 2-methyl-3-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one, 2-Methyl-3-{[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methyl}quinazolin-4(3H)-one, BRN 1041498
| Molecular Formula | C19H17N5O2 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1382 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 40889-63-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NN=C(O2)CN3C(=NC4=CC=CC=C4C3=O)C |
| InChIKey | PBQCUXVJXZLTPQ-UHFFFAOYSA-N |
Product Overview
RefChem:283871 (CAS 40889-63-2), with molecular formula C19H17N5O2 and molecular weight 347.14 g/mol. IUPAC: 2-methyl-3-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one.
Chemical Property Profile of RefChem:283871
Property Insights of RefChem:283871
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283871. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283871. Following Lipinski's Rule of Five, RefChem:283871 has 1 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:283871?
The CAS number of RefChem:283871 is 40889-63-2.
What is the molecular formula of RefChem:283871?
The molecular formula of RefChem:283871 is C19H17N5O2.
What is the molecular weight of RefChem:283871?
The molecular weight of RefChem:283871 is 347.14 g/mol.
Where can I buy RefChem:283871?
You can request a quote for RefChem:283871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.