AB00559556-02
TL;DR: AB00559556-02 (CAS 864922-41-8) is a chemical compound with molecular formula C18H15N3O4S2 and molecular weight 401.05 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-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
Also Known As: AB00559556-02, N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide, F0698-0476, N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetamide
| Molecular Formula | C18H15N3O4S2 |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 3.6732 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.05038 |
| Heavy Atoms | 27 |
| Complexity | 959.49554 |
Chemical Identifiers
| CAS Number | 864922-41-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NSC(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00559556-02 (CAS 864922-41-8), with molecular formula C18H15N3O4S2 and molecular weight 401.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00559556-02
Property Insights of AB00559556-02
The XLogP value of 3.6732 indicates that AB00559556-02 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 AB00559556-02. Following Lipinski's Rule of Five, AB00559556-02 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 AB00559556-02?
The CAS number of AB00559556-02 is 864922-41-8.
What is the molecular formula of AB00559556-02?
The molecular formula of AB00559556-02 is C18H15N3O4S2.
What is the molecular weight of AB00559556-02?
The molecular weight of AB00559556-02 is 401.05 g/mol.
Where can I buy AB00559556-02?
You can request a quote for AB00559556-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00559556-02?
Yes, KEHONG BIO provides custom synthesis services for AB00559556-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.