AB00687108-01
TL;DR: AB00687108-01 (CAS 893979-00-5) is a chemical compound with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
Also Known As: AB00687108-01, F1899-0876, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl}acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((6-(2-methoxyphenyl)pyridazin-3-yl)thio)acetamide
| Molecular Formula | C21H19N3O4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 3.6542 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.10962 |
| Heavy Atoms | 29 |
| Complexity | 1011.063 |
Chemical Identifiers
| CAS Number | 893979-00-5 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4 |
Product Overview
AB00687108-01 (CAS 893979-00-5), with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
Chemical Property Profile of AB00687108-01
Property Insights of AB00687108-01
The XLogP value of 3.6542 indicates that AB00687108-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687108-01. Following Lipinski's Rule of Five, AB00687108-01 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 AB00687108-01?
The CAS number of AB00687108-01 is 893979-00-5.
What is the molecular formula of AB00687108-01?
The molecular formula of AB00687108-01 is C21H19N3O4S.
What is the molecular weight of AB00687108-01?
The molecular weight of AB00687108-01 is 409.11 g/mol.
Where can I buy AB00687108-01?
You can request a quote for AB00687108-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687108-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687108-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.