AB00678552-01
TL;DR: AB00678552-01 (CAS 891099-83-5) is a chemical compound with molecular formula C18H14FN5O2S and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluoro-4-methylphenyl)-2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
Also Known As: AB00678552-01, F2507-0096, N-(3-fluoro-4-methylphenyl)-2-{[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}acetamide, N-(3-fluoro-4-methylphenyl)-2-((6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide, N-(3-fluoro-4-methylphenyl)-2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
| Molecular Formula | C18H14FN5O2S |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 3.56262 |
| Topological Polar Surface Area | 85.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.08524 |
| Heavy Atoms | 27 |
| Complexity | 1110.353 |
Chemical Identifiers
| CAS Number | 891099-83-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=CO4)F |
Product Overview
AB00678552-01 (CAS 891099-83-5), with molecular formula C18H14FN5O2S and molecular weight 383.09 g/mol. IUPAC: N-(3-fluoro-4-methylphenyl)-2-[[6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00678552-01
Property Insights of AB00678552-01
The XLogP value of 3.56262 indicates that AB00678552-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678552-01. Following Lipinski's Rule of Five, AB00678552-01 has 1 hydrogen bond donor(s) and 6 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 AB00678552-01?
The CAS number of AB00678552-01 is 891099-83-5.
What is the molecular formula of AB00678552-01?
The molecular formula of AB00678552-01 is C18H14FN5O2S.
What is the molecular weight of AB00678552-01?
The molecular weight of AB00678552-01 is 383.09 g/mol.
Where can I buy AB00678552-01?
You can request a quote for AB00678552-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678552-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678552-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.