AB00672117-01
TL;DR: AB00672117-01 (CAS 852437-87-7) is a chemical compound with molecular formula C20H17FN4O2S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: AB00672117-01, F0676-0913, 3-(3,4-dimethoxyphenyl)-6-((4-fluorobenzyl)thio)-[1,2,4]triazolo[4,3-b]pyridazine, 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C20H17FN4O2S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 4.2399 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.10562 |
| Heavy Atoms | 28 |
| Complexity | 1115.1019 |
Chemical Identifiers
| CAS Number | 852437-87-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC4=CC=C(C=C4)F)OC |
Product Overview
AB00672117-01 (CAS 852437-87-7), with molecular formula C20H17FN4O2S and molecular weight 396.11 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of AB00672117-01
Property Insights of AB00672117-01
The XLogP value of 4.2399 indicates that AB00672117-01 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 AB00672117-01. Following Lipinski's Rule of Five, AB00672117-01 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 AB00672117-01?
The CAS number of AB00672117-01 is 852437-87-7.
What is the molecular formula of AB00672117-01?
The molecular formula of AB00672117-01 is C20H17FN4O2S.
What is the molecular weight of AB00672117-01?
The molecular weight of AB00672117-01 is 396.11 g/mol.
Where can I buy AB00672117-01?
You can request a quote for AB00672117-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672117-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672117-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.