AB00676438-01
TL;DR: AB00676438-01 (CAS 869068-54-2) is a chemical compound with molecular formula C15H19N5O4S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: AB00676438-01, F1847-0188, 2-[(4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide, 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
| Molecular Formula | C15H19N5O4S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | -0.1797 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.11578 |
| Heavy Atoms | 25 |
| Complexity | 795.73145 |
Chemical Identifiers
| CAS Number | 869068-54-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=CC(=O)N2N)OC |
Product Overview
AB00676438-01 (CAS 869068-54-2), with molecular formula C15H19N5O4S and molecular weight 365.12 g/mol. IUPAC: 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of AB00676438-01
Property Insights of AB00676438-01
The XLogP value of -0.1797 indicates that AB00676438-01 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676438-01. Following Lipinski's Rule of Five, AB00676438-01 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 AB00676438-01?
The CAS number of AB00676438-01 is 869068-54-2.
What is the molecular formula of AB00676438-01?
The molecular formula of AB00676438-01 is C15H19N5O4S.
What is the molecular weight of AB00676438-01?
The molecular weight of AB00676438-01 is 365.12 g/mol.
Where can I buy AB00676438-01?
You can request a quote for AB00676438-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676438-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676438-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.