F2712-0129
TL;DR: F2712-0129 (CAS 896170-38-0) is a chemical compound with molecular formula C13H13ClN4O3S and molecular weight 340.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-3-[(2-chlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic acid
Also Known As: F2712-0129, 3-(4-amino-3-((2-chlorobenzyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid, 3-[4-amino-3-[(2-chlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic Acid, 3-(4-amino-3-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid, 3-{4-amino-3-[(2-chlorobenzyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}propanoic acid
| Molecular Formula | C13H13ClN4O3S |
|---|---|
| Molecular Weight | 340.04 g/mol |
| LogP | 1.315 |
| Topological Polar Surface Area | 111.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0397 |
| Heavy Atoms | 22 |
| Complexity | 750.3053 |
Chemical Identifiers
| CAS Number | 896170-38-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(C(=O)N2N)CCC(=O)O)Cl |
Product Overview
F2712-0129 (CAS 896170-38-0), with molecular formula C13H13ClN4O3S and molecular weight 340.04 g/mol. IUPAC: 3-[4-amino-3-[(2-chlorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic acid.
Chemical Property Profile of F2712-0129
Property Insights of F2712-0129
The XLogP value of 1.315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2712-0129. The TPSA of 111.1 Ų falls within the moderate polarity range, balancing permeability and solubility for F2712-0129. Following Lipinski's Rule of Five, F2712-0129 has 2 hydrogen bond donor(s) and 6 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 F2712-0129?
The CAS number of F2712-0129 is 896170-38-0.
What is the molecular formula of F2712-0129?
The molecular formula of F2712-0129 is C13H13ClN4O3S.
What is the molecular weight of F2712-0129?
The molecular weight of F2712-0129 is 340.04 g/mol.
Where can I buy F2712-0129?
You can request a quote for F2712-0129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2712-0129?
Yes, KEHONG BIO provides custom synthesis services for F2712-0129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.