AB00546704-02
TL;DR: AB00546704-02 (CAS 864919-48-2) is a chemical compound with molecular formula C18H14ClN3O3S2 and molecular weight 419.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
Also Known As: AB00546704-02, F0698-0409, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
| Molecular Formula | C18H14ClN3O3S2 |
|---|---|
| Molecular Weight | 419.02 g/mol |
| LogP | 3.9957 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.0165 |
| Heavy Atoms | 27 |
| Complexity | 979.99066 |
Chemical Identifiers
| CAS Number | 864919-48-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=NS3)C4=CC=CC=C4Cl |
Product Overview
AB00546704-02 (CAS 864919-48-2), with molecular formula C18H14ClN3O3S2 and molecular weight 419.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00546704-02
Property Insights of AB00546704-02
The XLogP value of 3.9957 indicates that AB00546704-02 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 AB00546704-02. Following Lipinski's Rule of Five, AB00546704-02 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 AB00546704-02?
The CAS number of AB00546704-02 is 864919-48-2.
What is the molecular formula of AB00546704-02?
The molecular formula of AB00546704-02 is C18H14ClN3O3S2.
What is the molecular weight of AB00546704-02?
The molecular weight of AB00546704-02 is 419.02 g/mol.
Where can I buy AB00546704-02?
You can request a quote for AB00546704-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00546704-02?
Yes, KEHONG BIO provides custom synthesis services for AB00546704-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.