AB00571310-02
TL;DR: AB00571310-02 (CAS 392320-91-1) is a chemical compound with molecular formula C21H23Cl2N3O2S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
Also Known As: AB00571310-02, F0417-2538, N-(5-((3r,5r,7r)-adamantan-1-yl)-1,3,4-thiadiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide, N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dichlorophenoxy)-N-methylacetamide, N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
| Molecular Formula | C21H23Cl2N3O2S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 5.3545 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.0888 |
| Heavy Atoms | 29 |
| Complexity | 912.47327 |
Chemical Identifiers
| CAS Number | 392320-91-1 |
|---|---|
| SMILES | CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)COC5=C(C=C(C=C5)Cl)Cl |
Product Overview
AB00571310-02 (CAS 392320-91-1), with molecular formula C21H23Cl2N3O2S and molecular weight 451.09 g/mol. IUPAC: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dichlorophenoxy)-N-methylacetamide.
Chemical Property Profile of AB00571310-02
Property Insights of AB00571310-02
The XLogP value of 5.3545 indicates that AB00571310-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.32 Ų, AB00571310-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00571310-02 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00571310-02?
The CAS number of AB00571310-02 is 392320-91-1.
What is the molecular formula of AB00571310-02?
The molecular formula of AB00571310-02 is C21H23Cl2N3O2S.
What is the molecular weight of AB00571310-02?
The molecular weight of AB00571310-02 is 451.09 g/mol.
Where can I buy AB00571310-02?
You can request a quote for AB00571310-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00571310-02?
Yes, KEHONG BIO provides custom synthesis services for AB00571310-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.