BAS 05590516
TL;DR: BAS 05590516 (CAS 522660-41-9) is a chemical compound with molecular formula C19H18N8OS and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(4-methoxyphenyl)-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Also Known As: BAS 05590516, BRD-K07602225-001-07-5, N-(4-Methoxy-phenyl)-6-(5-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine, {4-amino-6-[(5-phenyl(4H-1,2,4-triazol-3-ylthio))methyl](1,3,5-triazin-2-yl)}( 4-methoxyphenyl)amine, 2-N-(4-methoxyphenyl)-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
| Molecular Formula | C19H18N8OS |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.13242 |
| Heavy Atoms | 29 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 522660-41-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NNC(=N3)C4=CC=CC=C4 |
| InChIKey | JFCLUEUAPRRQEM-UHFFFAOYSA-N |
Product Overview
BAS 05590516 (CAS 522660-41-9), with molecular formula C19H18N8OS and molecular weight 406.13 g/mol. IUPAC: 2-N-(4-methoxyphenyl)-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 05590516
Property Insights of BAS 05590516
The XLogP value of 3.6 indicates that BAS 05590516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting BAS 05590516 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 05590516 has 3 hydrogen bond donor(s) and 9 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 05590516?
The CAS number of BAS 05590516 is 522660-41-9.
What is the molecular formula of BAS 05590516?
The molecular formula of BAS 05590516 is C19H18N8OS.
What is the molecular weight of BAS 05590516?
The molecular weight of BAS 05590516 is 406.13 g/mol.
Where can I buy BAS 05590516?
You can request a quote for BAS 05590516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05590516?
Yes, KEHONG BIO provides custom synthesis services for BAS 05590516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.