AB00677672-01
TL;DR: AB00677672-01 (CAS 872695-95-9) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
Also Known As: AB00677672-01, F1899-1462, 2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)-N-(4-methylbenzyl)acetamide, 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide, 2-{[6-(2H-1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.58922 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 975.1909 |
Chemical Identifiers
| CAS Number | 872695-95-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 |
Product Overview
AB00677672-01 (CAS 872695-95-9), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide.
Chemical Property Profile of AB00677672-01
Property Insights of AB00677672-01
The XLogP value of 3.58922 indicates that AB00677672-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00677672-01. Following Lipinski's Rule of Five, AB00677672-01 has 1 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 AB00677672-01?
The CAS number of AB00677672-01 is 872695-95-9.
What is the molecular formula of AB00677672-01?
The molecular formula of AB00677672-01 is C21H19N3O3S.
What is the molecular weight of AB00677672-01?
The molecular weight of AB00677672-01 is 393.11 g/mol.
Where can I buy AB00677672-01?
You can request a quote for AB00677672-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677672-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677672-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.