ChemDiv3_010444
TL;DR: ChemDiv3_010444 (CAS 727402-13-3) is a chemical compound with molecular formula C15H16N4OS2 and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: ChemDiv3_010444, BAS 11132497, AB01293953-01, BRD-A93873507-001-01-1, 2-(ethylsulfanyl)-9-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
| Molecular Formula | C15H16N4OS2 |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 3.4736 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.07657 |
| Heavy Atoms | 22 |
| Complexity | 747.6904 |
Chemical Identifiers
| CAS Number | 727402-13-3 |
|---|---|
| SMILES | CCSC1=NN2C(C3=C(CCCC3=O)NC2=N1)C4=CC=CS4 |
Product Overview
ChemDiv3_010444 (CAS 727402-13-3), with molecular formula C15H16N4OS2 and molecular weight 332.08 g/mol. IUPAC: 2-ethylsulfanyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of ChemDiv3_010444
Property Insights of ChemDiv3_010444
The XLogP value of 3.4736 indicates that ChemDiv3_010444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, ChemDiv3_010444 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_010444 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_010444?
The CAS number of ChemDiv3_010444 is 727402-13-3.
What is the molecular formula of ChemDiv3_010444?
The molecular formula of ChemDiv3_010444 is C15H16N4OS2.
What is the molecular weight of ChemDiv3_010444?
The molecular weight of ChemDiv3_010444 is 332.08 g/mol.
Where can I buy ChemDiv3_010444?
You can request a quote for ChemDiv3_010444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010444?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.