AB00571690-02
TL;DR: AB00571690-02 (CAS 330157-40-9) is a chemical compound with molecular formula C18H9ClF3N3O2S and molecular weight 423.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]chromen-2-one
Also Known As: AB00571690-02, F0803-0436, 6-chloro-3-(5-{[3-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazol-2-yl)-2H-chromen-2-one, 6-chloro-3-[5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]chromen-2-one, 5-(6-chloro-3-coumarinyl)-2-[m-(trifluoromethyl)phenylamino]-1,3,4-thiadiazole
| Molecular Formula | C18H9ClF3N3O2S |
|---|---|
| Molecular Weight | 423.01 g/mol |
| LogP | 5.7273 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.0056 |
| Heavy Atoms | 28 |
| Complexity | 1236.6986 |
Chemical Identifiers
| CAS Number | 330157-40-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Cl)OC3=O)C(F)(F)F |
Product Overview
AB00571690-02 (CAS 330157-40-9), with molecular formula C18H9ClF3N3O2S and molecular weight 423.01 g/mol. IUPAC: 6-chloro-3-[5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]chromen-2-one.
Chemical Property Profile of AB00571690-02
Property Insights of AB00571690-02
The XLogP value of 5.7273 indicates that AB00571690-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00571690-02. Following Lipinski's Rule of Five, AB00571690-02 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00571690-02?
The CAS number of AB00571690-02 is 330157-40-9.
What is the molecular formula of AB00571690-02?
The molecular formula of AB00571690-02 is C18H9ClF3N3O2S.
What is the molecular weight of AB00571690-02?
The molecular weight of AB00571690-02 is 423.01 g/mol.
Where can I buy AB00571690-02?
You can request a quote for AB00571690-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00571690-02?
Yes, KEHONG BIO provides custom synthesis services for AB00571690-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.