AB00672095-01
TL;DR: AB00672095-01 (CAS 852376-82-0) is a chemical compound with molecular formula C18H15N5OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00672095-01, F0676-0692, 3-({[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}methyl)pyridine, 3-(4-methoxyphenyl)-6-((pyridin-3-ylmethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazine, 3-(4-methoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C18H15N5OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 3.4872 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.09973 |
| Heavy Atoms | 25 |
| Complexity | 985.46265 |
Chemical Identifiers
| CAS Number | 852376-82-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CN=CC=C4 |
Product Overview
AB00672095-01 (CAS 852376-82-0), with molecular formula C18H15N5OS and molecular weight 349.10 g/mol. IUPAC: 3-(4-methoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of AB00672095-01
Property Insights of AB00672095-01
The XLogP value of 3.4872 indicates that AB00672095-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672095-01. Following Lipinski's Rule of Five, AB00672095-01 has 0 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 AB00672095-01?
The CAS number of AB00672095-01 is 852376-82-0.
What is the molecular formula of AB00672095-01?
The molecular formula of AB00672095-01 is C18H15N5OS.
What is the molecular weight of AB00672095-01?
The molecular weight of AB00672095-01 is 349.10 g/mol.
Where can I buy AB00672095-01?
You can request a quote for AB00672095-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672095-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672095-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.