AN-989/40683539
TL;DR: AN-989/40683539 (CAS 443877-82-5) is a chemical compound with molecular formula C22H23ClN2O4S and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-3-propyl-1,3-thiazolidin-4-one
Also Known As: AN-989/40683539, 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-[(4-ethoxyphenyl)imino]-3-propyl-1,3-thiazolidin-4-one, (5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-3-propyl-1,3-thiazolidin-4-one, (2E,5Z)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-[(4-ethoxyphenyl)imino]-3-propyl-1,3-thiazolidin-4-one
| Molecular Formula | C22H23ClN2O4S |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 5.4669 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.10672 |
| Heavy Atoms | 30 |
| Complexity | 989.3772 |
Chemical Identifiers
| CAS Number | 443877-82-5 |
|---|---|
| SMILES | CCCN1C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)O)OC)/SC1=NC3=CC=C(C=C3)OCC |
Product Overview
AN-989/40683539 (CAS 443877-82-5), with molecular formula C22H23ClN2O4S and molecular weight 446.11 g/mol. IUPAC: (5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-3-propyl-1,3-thiazolidin-4-one.
Chemical Property Profile of AN-989/40683539
Property Insights of AN-989/40683539
The XLogP value of 5.4669 indicates that AN-989/40683539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683539. Following Lipinski's Rule of Five, AN-989/40683539 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 AN-989/40683539?
The CAS number of AN-989/40683539 is 443877-82-5.
What is the molecular formula of AN-989/40683539?
The molecular formula of AN-989/40683539 is C22H23ClN2O4S.
What is the molecular weight of AN-989/40683539?
The molecular weight of AN-989/40683539 is 446.11 g/mol.
Where can I buy AN-989/40683539?
You can request a quote for AN-989/40683539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683539?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.