AB00678531-01
TL;DR: AB00678531-01 (CAS 891095-87-7) is a chemical compound with molecular formula C18H16N6O2S2 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Also Known As: AB00678531-01, F2506-1328, 2-{[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide, 2-((6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-N-(4-methylthiazol-2-yl)acetamide, 2-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
| Molecular Formula | C18H16N6O2S2 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 3.29562 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0776 |
| Heavy Atoms | 28 |
| Complexity | 1140.0259 |
Chemical Identifiers
| CAS Number | 891095-87-7 |
|---|---|
| SMILES | CC1=CSC(=N1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC(=CC=C4)OC |
Product Overview
AB00678531-01 (CAS 891095-87-7), with molecular formula C18H16N6O2S2 and molecular weight 412.08 g/mol. IUPAC: 2-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00678531-01
Property Insights of AB00678531-01
The XLogP value of 3.29562 indicates that AB00678531-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678531-01. Following Lipinski's Rule of Five, AB00678531-01 has 1 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 AB00678531-01?
The CAS number of AB00678531-01 is 891095-87-7.
What is the molecular formula of AB00678531-01?
The molecular formula of AB00678531-01 is C18H16N6O2S2.
What is the molecular weight of AB00678531-01?
The molecular weight of AB00678531-01 is 412.08 g/mol.
Where can I buy AB00678531-01?
You can request a quote for AB00678531-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678531-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678531-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.