F1847-0174
TL;DR: F1847-0174 (CAS 869068-48-4) is a chemical compound with molecular formula C13H13N5O4S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F1847-0174, methyl 4-(2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamido)benzoate, methyl 4-{2-[(4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}benzoate, methyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C13H13N5O4S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | -0.1305 |
| Topological Polar Surface Area | 129.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.06882 |
| Heavy Atoms | 23 |
| Complexity | 774.6795 |
Chemical Identifiers
| CAS Number | 869068-48-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CC(=O)N2N |
Product Overview
F1847-0174 (CAS 869068-48-4), with molecular formula C13H13N5O4S and molecular weight 335.07 g/mol. IUPAC: methyl 4-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F1847-0174
Property Insights of F1847-0174
The XLogP value of -0.1305 indicates that F1847-0174 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F1847-0174. Following Lipinski's Rule of Five, F1847-0174 has 2 hydrogen bond donor(s) and 8 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 F1847-0174?
The CAS number of F1847-0174 is 869068-48-4.
What is the molecular formula of F1847-0174?
The molecular formula of F1847-0174 is C13H13N5O4S.
What is the molecular weight of F1847-0174?
The molecular weight of F1847-0174 is 335.07 g/mol.
Where can I buy F1847-0174?
You can request a quote for F1847-0174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1847-0174?
Yes, KEHONG BIO provides custom synthesis services for F1847-0174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.