BAS 13845766
TL;DR: BAS 13845766 (CAS 728035-00-5) 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-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: BAS 13845766, A3876/0164751, 2-((4-(2,4-dichlorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one, 2-[[4-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one, 2-[4-(2,4-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 | 1243.8612 |
Chemical Identifiers
| CAS Number | 728035-00-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 13845766 (CAS 728035-00-5), with molecular formula C17H11Cl2N5OS and molecular weight 403.01 g/mol. IUPAC: 2-[[4-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of BAS 13845766
Property Insights of BAS 13845766
The XLogP value of 3.99489 indicates that BAS 13845766 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 13845766. Following Lipinski's Rule of Five, BAS 13845766 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 13845766?
The CAS number of BAS 13845766 is 728035-00-5.
What is the molecular formula of BAS 13845766?
The molecular formula of BAS 13845766 is C17H11Cl2N5OS.
What is the molecular weight of BAS 13845766?
The molecular weight of BAS 13845766 is 403.01 g/mol.
Where can I buy BAS 13845766?
You can request a quote for BAS 13845766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13845766?
Yes, KEHONG BIO provides custom synthesis services for BAS 13845766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.