AN-989/40746666
TL;DR: AN-989/40746666 (CAS 429648-03-3) is a chemical compound with molecular formula C22H22FNO4S and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/40746666, 5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-isobutyl-1,3-thiazolidine-2,4-dione, (5Z)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione, (5Z)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C22H22FNO4S |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 5.1056 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.12537 |
| Heavy Atoms | 29 |
| Complexity | 957.5785 |
Chemical Identifiers
| CAS Number | 429648-03-3 |
|---|---|
| SMILES | CC(C)CN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3F)OC)/SC1=O |
Product Overview
AN-989/40746666 (CAS 429648-03-3), with molecular formula C22H22FNO4S and molecular weight 415.13 g/mol. IUPAC: (5Z)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/40746666
Property Insights of AN-989/40746666
The XLogP value of 5.1056 indicates that AN-989/40746666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, AN-989/40746666 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-989/40746666 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 AN-989/40746666?
The CAS number of AN-989/40746666 is 429648-03-3.
What is the molecular formula of AN-989/40746666?
The molecular formula of AN-989/40746666 is C22H22FNO4S.
What is the molecular weight of AN-989/40746666?
The molecular weight of AN-989/40746666 is 415.13 g/mol.
Where can I buy AN-989/40746666?
You can request a quote for AN-989/40746666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40746666?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40746666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.