AB00676392-01
TL;DR: AB00676392-01 (CAS 727980-25-8) is a chemical compound with molecular formula C12H12N6O4S and molecular weight 336.06 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-(4-nitrophenyl)acetamide
Also Known As: AB00676392-01, F1847-0052, 2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide, 2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C12H12N6O4S |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 0.29952 |
| Topological Polar Surface Area | 146.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0641 |
| Heavy Atoms | 23 |
| Complexity | 804.1885 |
Chemical Identifiers
| CAS Number | 727980-25-8 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
AB00676392-01 (CAS 727980-25-8), with molecular formula C12H12N6O4S and molecular weight 336.06 g/mol. IUPAC: 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of AB00676392-01
Property Insights of AB00676392-01
The XLogP value of 0.29952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00676392-01. The TPSA of 146.04 Ų indicates high polarity, suggesting AB00676392-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00676392-01 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 AB00676392-01?
The CAS number of AB00676392-01 is 727980-25-8.
What is the molecular formula of AB00676392-01?
The molecular formula of AB00676392-01 is C12H12N6O4S.
What is the molecular weight of AB00676392-01?
The molecular weight of AB00676392-01 is 336.06 g/mol.
Where can I buy AB00676392-01?
You can request a quote for AB00676392-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676392-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676392-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.