ChemDiv3_006413
TL;DR: ChemDiv3_006413 (CAS 848867-74-3) is a chemical compound with molecular formula C17H13N5O2S and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: ChemDiv3_006413, IDI1_024323, 4-amino-1-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-amino-1-((2-oxo-2-phenylethyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-amino-1-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
| Molecular Formula | C17H13N5O2S |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 1.733 |
| Topological Polar Surface Area | 95.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.079 |
| Heavy Atoms | 25 |
| Complexity | 1150.3452 |
Chemical Identifiers
| CAS Number | 848867-74-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3N |
Product Overview
ChemDiv3_006413 (CAS 848867-74-3), with molecular formula C17H13N5O2S and molecular weight 351.08 g/mol. IUPAC: 4-amino-1-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Chemical Property Profile of ChemDiv3_006413
Property Insights of ChemDiv3_006413
The XLogP value of 1.733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006413. The TPSA of 95.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006413. Following Lipinski's Rule of Five, ChemDiv3_006413 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 ChemDiv3_006413?
The CAS number of ChemDiv3_006413 is 848867-74-3.
What is the molecular formula of ChemDiv3_006413?
The molecular formula of ChemDiv3_006413 is C17H13N5O2S.
What is the molecular weight of ChemDiv3_006413?
The molecular weight of ChemDiv3_006413 is 351.08 g/mol.
Where can I buy ChemDiv3_006413?
You can request a quote for ChemDiv3_006413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006413?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.