AB00412069-04
TL;DR: AB00412069-04 (CAS 852373-52-5) is a chemical compound with molecular formula C17H13ClN6O2S and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: AB00412069-04, F0676-0196, 2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide, 2-((3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
| Molecular Formula | C17H13ClN6O2S |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 3.47192 |
| Topological Polar Surface Area | 98.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.05093 |
| Heavy Atoms | 27 |
| Complexity | 1108.2747 |
Chemical Identifiers
| CAS Number | 852373-52-5 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)Cl)C=C2 |
Product Overview
AB00412069-04 (CAS 852373-52-5), with molecular formula C17H13ClN6O2S and molecular weight 400.05 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of AB00412069-04
Property Insights of AB00412069-04
The XLogP value of 3.47192 indicates that AB00412069-04 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00412069-04. Following Lipinski's Rule of Five, AB00412069-04 has 1 hydrogen bond donor(s) and 7 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 AB00412069-04?
The CAS number of AB00412069-04 is 852373-52-5.
What is the molecular formula of AB00412069-04?
The molecular formula of AB00412069-04 is C17H13ClN6O2S.
What is the molecular weight of AB00412069-04?
The molecular weight of AB00412069-04 is 400.05 g/mol.
Where can I buy AB00412069-04?
You can request a quote for AB00412069-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00412069-04?
Yes, KEHONG BIO provides custom synthesis services for AB00412069-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.