AN-989/40683851
TL;DR: AN-989/40683851 (CAS 443877-58-5) is a chemical compound with molecular formula C26H31N3O4S and molecular weight 481.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(5Z)-5-[[4-(diethylamino)-2-ethoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: AN-989/40683851, ethyl 4-({5-[4-(diethylamino)-2-ethoxybenzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoate, ethyl 4-[[(5Z)-5-[[4-(diethylamino)-2-ethoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate, ethyl 4-((E)-((Z)-5-(4-(diethylamino)-2-ethoxybenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoate, ethyl 4-({(2E,5Z)-5-[4-(diethylamino)-2-ethoxybenzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoate
| Molecular Formula | C26H31N3O4S |
|---|---|
| Molecular Weight | 481.20 g/mol |
| LogP | 5.342 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.20352 |
| Heavy Atoms | 34 |
| Complexity | 1091.7246 |
Chemical Identifiers
| CAS Number | 443877-58-5 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)C)OCC |
Product Overview
AN-989/40683851 (CAS 443877-58-5), with molecular formula C26H31N3O4S and molecular weight 481.20 g/mol. IUPAC: ethyl 4-[[(5Z)-5-[[4-(diethylamino)-2-ethoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate.
Chemical Property Profile of AN-989/40683851
Property Insights of AN-989/40683851
The XLogP value of 5.342 indicates that AN-989/40683851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683851. Following Lipinski's Rule of Five, AN-989/40683851 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-989/40683851?
The CAS number of AN-989/40683851 is 443877-58-5.
What is the molecular formula of AN-989/40683851?
The molecular formula of AN-989/40683851 is C26H31N3O4S.
What is the molecular weight of AN-989/40683851?
The molecular weight of AN-989/40683851 is 481.20 g/mol.
Where can I buy AN-989/40683851?
You can request a quote for AN-989/40683851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683851?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.