AN-989/40683669
TL;DR: AN-989/40683669 (CAS 443875-76-1) is a chemical compound with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: AN-989/40683669, methyl 4-({2-[(4-ethoxyphenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl)benzoate, methyl 4-[(Z)-[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate, methyl 4-[(Z)-{(2E)-2-[(4-ethoxyphenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]benzoate
| Molecular Formula | C22H22N2O4S |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.4958 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.13004 |
| Heavy Atoms | 29 |
| Complexity | 949.7825 |
Chemical Identifiers
| CAS Number | 443875-76-1 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/SC1=NC3=CC=C(C=C3)OCC |
Product Overview
AN-989/40683669 (CAS 443875-76-1), with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol. IUPAC: methyl 4-[(Z)-[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of AN-989/40683669
Property Insights of AN-989/40683669
The XLogP value of 4.4958 indicates that AN-989/40683669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40683669. Following Lipinski's Rule of Five, AN-989/40683669 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-989/40683669?
The CAS number of AN-989/40683669 is 443875-76-1.
What is the molecular formula of AN-989/40683669?
The molecular formula of AN-989/40683669 is C22H22N2O4S.
What is the molecular weight of AN-989/40683669?
The molecular weight of AN-989/40683669 is 410.13 g/mol.
Where can I buy AN-989/40683669?
You can request a quote for AN-989/40683669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40683669?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40683669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.