AB00676394-01
TL;DR: AB00676394-01 (CAS 869067-81-2) is a chemical compound with molecular formula C15H17N5O4S and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB00676394-01, F1847-0054, ethyl 4-{2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}benzoate, ethyl 4-(2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C15H17N5O4S |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 0.56802 |
| Topological Polar Surface Area | 129.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.10013 |
| Heavy Atoms | 25 |
| Complexity | 834.8056 |
Chemical Identifiers
| CAS Number | 869067-81-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C(=O)N2N)C |
Product Overview
AB00676394-01 (CAS 869067-81-2), with molecular formula C15H17N5O4S and molecular weight 363.10 g/mol. IUPAC: ethyl 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00676394-01
Property Insights of AB00676394-01
The XLogP value of 0.56802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00676394-01. The TPSA of 129.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676394-01. Following Lipinski's Rule of Five, AB00676394-01 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 AB00676394-01?
The CAS number of AB00676394-01 is 869067-81-2.
What is the molecular formula of AB00676394-01?
The molecular formula of AB00676394-01 is C15H17N5O4S.
What is the molecular weight of AB00676394-01?
The molecular weight of AB00676394-01 is 363.10 g/mol.
Where can I buy AB00676394-01?
You can request a quote for AB00676394-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676394-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676394-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.