AB00431235-04
TL;DR: AB00431235-04 (CAS 868969-79-3) is a chemical compound with molecular formula C19H16N6O2S and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Also Known As: AB00431235-04, F1835-0394, N-(3-methoxyphenyl)-2-((3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide, N-(3-methoxyphenyl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide, N-(3-methoxyphenyl)-2-{[3-(pyridin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetamide
| Molecular Formula | C19H16N6O2S |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 2.9257 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.10553 |
| Heavy Atoms | 28 |
| Complexity | 1115.83 |
Chemical Identifiers
| CAS Number | 868969-79-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2 |
Product Overview
AB00431235-04 (CAS 868969-79-3), with molecular formula C19H16N6O2S and molecular weight 392.11 g/mol. IUPAC: N-(3-methoxyphenyl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00431235-04
Property Insights of AB00431235-04
The XLogP value of 2.9257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00431235-04. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00431235-04. Following Lipinski's Rule of Five, AB00431235-04 has 1 hydrogen bond donor(s) and 7 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 AB00431235-04?
The CAS number of AB00431235-04 is 868969-79-3.
What is the molecular formula of AB00431235-04?
The molecular formula of AB00431235-04 is C19H16N6O2S.
What is the molecular weight of AB00431235-04?
The molecular weight of AB00431235-04 is 392.11 g/mol.
Where can I buy AB00431235-04?
You can request a quote for AB00431235-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00431235-04?
Yes, KEHONG BIO provides custom synthesis services for AB00431235-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.