F2712-0074
TL;DR: F2712-0074 (CAS 896170-63-1) is a chemical compound with molecular formula C17H21N5O4S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-5-oxo-3-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,2,4-triazin-6-yl]propanoic acid
Also Known As: F2712-0074, 3-(4-amino-3-((2-(mesitylamino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid, 3-[4-amino-5-oxo-3-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid, 3-[4-amino-5-oxo-3-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,2,4-triazin-6-yl]propanoic acid
| Molecular Formula | C17H21N5O4S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 1.02536 |
| Topological Polar Surface Area | 140.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.13144 |
| Heavy Atoms | 27 |
| Complexity | 918.4015 |
Chemical Identifiers
| CAS Number | 896170-63-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O)C |
Product Overview
F2712-0074 (CAS 896170-63-1), with molecular formula C17H21N5O4S and molecular weight 391.13 g/mol. IUPAC: 3-[4-amino-5-oxo-3-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1,2,4-triazin-6-yl]propanoic acid.
Chemical Property Profile of F2712-0074
Property Insights of F2712-0074
The XLogP value of 1.02536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2712-0074. The TPSA of 140.2 Ų indicates high polarity, suggesting F2712-0074 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F2712-0074 has 3 hydrogen bond donor(s) and 7 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 F2712-0074?
The CAS number of F2712-0074 is 896170-63-1.
What is the molecular formula of F2712-0074?
The molecular formula of F2712-0074 is C17H21N5O4S.
What is the molecular weight of F2712-0074?
The molecular weight of F2712-0074 is 391.13 g/mol.
Where can I buy F2712-0074?
You can request a quote for F2712-0074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2712-0074?
Yes, KEHONG BIO provides custom synthesis services for F2712-0074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.