AB00548829-02
TL;DR: AB00548829-02 (CAS 869067-84-5) is a chemical compound with molecular formula C13H14ClN5O2S and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
Also Known As: AB00548829-02, F1847-0064, 2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2-chlorobenzyl)acetamide, 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide, 2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
| Molecular Formula | C13H14ClN5O2S |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 0.72242 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.05566 |
| Heavy Atoms | 22 |
| Complexity | 749.45056 |
Chemical Identifiers
| CAS Number | 869067-84-5 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)N)SCC(=O)NCC2=CC=CC=C2Cl |
Product Overview
AB00548829-02 (CAS 869067-84-5), with molecular formula C13H14ClN5O2S and molecular weight 339.06 g/mol. IUPAC: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide.
Chemical Property Profile of AB00548829-02
Property Insights of AB00548829-02
The XLogP value of 0.72242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00548829-02. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00548829-02. Following Lipinski's Rule of Five, AB00548829-02 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 AB00548829-02?
The CAS number of AB00548829-02 is 869067-84-5.
What is the molecular formula of AB00548829-02?
The molecular formula of AB00548829-02 is C13H14ClN5O2S.
What is the molecular weight of AB00548829-02?
The molecular weight of AB00548829-02 is 339.06 g/mol.
Where can I buy AB00548829-02?
You can request a quote for AB00548829-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00548829-02?
Yes, KEHONG BIO provides custom synthesis services for AB00548829-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.