AB00431176-04
TL;DR: AB00431176-04 (CAS 868969-86-2) is a chemical compound with molecular formula C19H14N6O3S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Also Known As: AB00431176-04, AB00431176-10, F1835-0401, N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
| Molecular Formula | C19H14N6O3S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 2.6458 |
| Topological Polar Surface Area | 103.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.0848 |
| Heavy Atoms | 29 |
| Complexity | 1197.2565 |
Chemical Identifiers
| CAS Number | 868969-86-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN4C(=NN=C4C5=CC=NC=C5)C=C3 |
Product Overview
AB00431176-04 (CAS 868969-86-2), with molecular formula C19H14N6O3S and molecular weight 406.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00431176-04
Property Insights of AB00431176-04
The XLogP value of 2.6458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431176-04. The TPSA of 103.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431176-04. Following Lipinski's Rule of Five, AB00431176-04 has 1 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 AB00431176-04?
The CAS number of AB00431176-04 is 868969-86-2.
What is the molecular formula of AB00431176-04?
The molecular formula of AB00431176-04 is C19H14N6O3S.
What is the molecular weight of AB00431176-04?
The molecular weight of AB00431176-04 is 406.08 g/mol.
Where can I buy AB00431176-04?
You can request a quote for AB00431176-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431176-04?
Yes, KEHONG BIO provides custom synthesis services for AB00431176-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.