AB00434712-03
TL;DR: AB00434712-03 (CAS 852437-95-7) is a chemical compound with molecular formula C16H16N4O4S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate
Also Known As: AB00434712-03, F0676-0935, methyl 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate, methyl 2-{[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetate, methyl 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
| Molecular Formula | C16H16N4O4S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 2.0736 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.08923 |
| Heavy Atoms | 25 |
| Complexity | 912.28613 |
Chemical Identifiers
| CAS Number | 852437-95-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)OC)OC |
Product Overview
AB00434712-03 (CAS 852437-95-7), with molecular formula C16H16N4O4S and molecular weight 360.09 g/mol. IUPAC: methyl 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate.
Chemical Property Profile of AB00434712-03
Property Insights of AB00434712-03
The XLogP value of 2.0736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00434712-03. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00434712-03. Following Lipinski's Rule of Five, AB00434712-03 has 0 hydrogen bond donor(s) and 8 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 AB00434712-03?
The CAS number of AB00434712-03 is 852437-95-7.
What is the molecular formula of AB00434712-03?
The molecular formula of AB00434712-03 is C16H16N4O4S.
What is the molecular weight of AB00434712-03?
The molecular weight of AB00434712-03 is 360.09 g/mol.
Where can I buy AB00434712-03?
You can request a quote for AB00434712-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00434712-03?
Yes, KEHONG BIO provides custom synthesis services for AB00434712-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.