AB00672118-01
TL;DR: AB00672118-01 (CAS 852437-89-9) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00672118-01, F0676-0920, 3-(3,4-dimethoxyphenyl)-6-{[(3-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-b]pyridazine, 3-(3,4-dimethoxyphenyl)-6-((3-methylbenzyl)thio)-[1,2,4]triazolo[4,3-b]pyridazine, 3-(3,4-dimethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 4.40922 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 1126.5519 |
Chemical Identifiers
| CAS Number | 852437-89-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN3C(=NN=C3C4=CC(=C(C=C4)OC)OC)C=C2 |
Product Overview
AB00672118-01 (CAS 852437-89-9), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of AB00672118-01
Property Insights of AB00672118-01
The XLogP value of 4.40922 indicates that AB00672118-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672118-01. Following Lipinski's Rule of Five, AB00672118-01 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 AB00672118-01?
The CAS number of AB00672118-01 is 852437-89-9.
What is the molecular formula of AB00672118-01?
The molecular formula of AB00672118-01 is C21H20N4O2S.
What is the molecular weight of AB00672118-01?
The molecular weight of AB00672118-01 is 392.13 g/mol.
Where can I buy AB00672118-01?
You can request a quote for AB00672118-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672118-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672118-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.