AN-989/40683454
TL;DR: AN-989/40683454 (CAS 428504-32-9) is a chemical compound with molecular formula C21H21ClN2O3S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-chlorophenyl)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-989/40683454, 3-(3-chlorophenyl)-5-[4-(diethylamino)-2-methoxybenzylidene]-1,3-thiazolidine-2,4-dione, (5Z)-3-(3-chlorophenyl)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C21H21ClN2O3S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 5.4357 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.09613 |
| Heavy Atoms | 28 |
| Complexity | 940.998 |
Chemical Identifiers
| CAS Number | 428504-32-9 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)C3=CC(=CC=C3)Cl)OC |
Product Overview
AN-989/40683454 (CAS 428504-32-9), with molecular formula C21H21ClN2O3S and molecular weight 416.10 g/mol. IUPAC: (5Z)-3-(3-chlorophenyl)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-989/40683454
Property Insights of AN-989/40683454
The XLogP value of 5.4357 indicates that AN-989/40683454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, AN-989/40683454 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-989/40683454 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-989/40683454?
The CAS number of AN-989/40683454 is 428504-32-9.
What is the molecular formula of AN-989/40683454?
The molecular formula of AN-989/40683454 is C21H21ClN2O3S.
What is the molecular weight of AN-989/40683454?
The molecular weight of AN-989/40683454 is 416.10 g/mol.
Where can I buy AN-989/40683454?
You can request a quote for AN-989/40683454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683454?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.