BAS 04914324
TL;DR: BAS 04914324 (CAS 498571-82-7) is a chemical compound with molecular formula C12H11FN8S and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
Also Known As: BAS 04914324, N-(4-fluorophenyl)-6-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3,5-triazine-2,4-diamine, 2-N-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine, 6-(((4H-1,2,4-triazol-3-yl)thio)methyl)-N2-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine, N-(4-fluorophenyl)-6-[(4H-1,2,4-triazol-3-ylthio)methyl]-1,3,5-triazine-2,4-diamine
| Molecular Formula | C12H11FN8S |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.08115 |
| Heavy Atoms | 22 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 498571-82-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC=NN3)F |
| InChIKey | MCXVVYZJZJYNDY-UHFFFAOYSA-N |
Product Overview
BAS 04914324 (CAS 498571-82-7), with molecular formula C12H11FN8S and molecular weight 318.08 g/mol. IUPAC: 2-N-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 04914324
Property Insights of BAS 04914324
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914324. The TPSA of 144.0 Ų indicates high polarity, suggesting BAS 04914324 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 04914324 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 04914324?
The CAS number of BAS 04914324 is 498571-82-7.
What is the molecular formula of BAS 04914324?
The molecular formula of BAS 04914324 is C12H11FN8S.
What is the molecular weight of BAS 04914324?
The molecular weight of BAS 04914324 is 318.08 g/mol.
Where can I buy BAS 04914324?
You can request a quote for BAS 04914324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914324?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.