AB00684457-01
TL;DR: AB00684457-01 (CAS 681225-01-4) is a chemical compound with molecular formula C19H21N3O4S2 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
Also Known As: AB00684457-01, F0558-0256, N-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)acetamide, N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide, N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}acetamide
| Molecular Formula | C19H21N3O4S2 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.223 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.09735 |
| Heavy Atoms | 28 |
| Complexity | 864.61365 |
Chemical Identifiers
| CAS Number | 681225-01-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4 |
Product Overview
AB00684457-01 (CAS 681225-01-4), with molecular formula C19H21N3O4S2 and molecular weight 419.10 g/mol. IUPAC: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.
Chemical Property Profile of AB00684457-01
Property Insights of AB00684457-01
The XLogP value of 3.223 indicates that AB00684457-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684457-01. Following Lipinski's Rule of Five, AB00684457-01 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 AB00684457-01?
The CAS number of AB00684457-01 is 681225-01-4.
What is the molecular formula of AB00684457-01?
The molecular formula of AB00684457-01 is C19H21N3O4S2.
What is the molecular weight of AB00684457-01?
The molecular weight of AB00684457-01 is 419.10 g/mol.
Where can I buy AB00684457-01?
You can request a quote for AB00684457-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684457-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684457-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.