BAS 11409579
TL;DR: BAS 11409579 (CAS 728015-36-9) is a chemical compound with molecular formula C17H11Cl2N5OS and molecular weight 403.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: BAS 11409579, A3844/0163258, 2-((4-(3,5-dichlorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one, 2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one, 2-[4-(3,5-Dichloro-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl]-2H-phthalazin-1-one
| Molecular Formula | C17H11Cl2N5OS |
|---|---|
| Molecular Weight | 403.01 g/mol |
| LogP | 3.99489 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.00613 |
| Heavy Atoms | 26 |
| Complexity | 1223.6112 |
Chemical Identifiers
| CAS Number | 728015-36-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC(=CC(=C4)Cl)Cl |
Product Overview
BAS 11409579 (CAS 728015-36-9), with molecular formula C17H11Cl2N5OS and molecular weight 403.01 g/mol. IUPAC: 2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of BAS 11409579
Property Insights of BAS 11409579
The XLogP value of 3.99489 indicates that BAS 11409579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11409579. Following Lipinski's Rule of Five, BAS 11409579 has 1 hydrogen bond donor(s) and 4 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 BAS 11409579?
The CAS number of BAS 11409579 is 728015-36-9.
What is the molecular formula of BAS 11409579?
The molecular formula of BAS 11409579 is C17H11Cl2N5OS.
What is the molecular weight of BAS 11409579?
The molecular weight of BAS 11409579 is 403.01 g/mol.
Where can I buy BAS 11409579?
You can request a quote for BAS 11409579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11409579?
Yes, KEHONG BIO provides custom synthesis services for BAS 11409579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.