AB00678564-01
TL;DR: AB00678564-01 (CAS 891102-60-6) is a chemical compound with molecular formula C16H11ClN4S2 and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methylsulfanyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00678564-01, F2507-0193, 3-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine, 3-((3-chlorobenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine, 3-[(3-chlorophenyl)methylsulfanyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C16H11ClN4S2 |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 4.7985 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.01135 |
| Heavy Atoms | 23 |
| Complexity | 949.79596 |
Chemical Identifiers
| CAS Number | 891102-60-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CSC2=NN=C3N2N=C(C=C3)C4=CC=CS4 |
Product Overview
AB00678564-01 (CAS 891102-60-6), with molecular formula C16H11ClN4S2 and molecular weight 358.01 g/mol. IUPAC: 3-[(3-chlorophenyl)methylsulfanyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of AB00678564-01
Property Insights of AB00678564-01
The XLogP value of 4.7985 indicates that AB00678564-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, AB00678564-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00678564-01 has 0 hydrogen bond donor(s) and 5 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 AB00678564-01?
The CAS number of AB00678564-01 is 891102-60-6.
What is the molecular formula of AB00678564-01?
The molecular formula of AB00678564-01 is C16H11ClN4S2.
What is the molecular weight of AB00678564-01?
The molecular weight of AB00678564-01 is 358.01 g/mol.
Where can I buy AB00678564-01?
You can request a quote for AB00678564-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678564-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678564-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.