AN-698/41239445
TL;DR: AN-698/41239445 (CAS 444333-07-7) is a chemical compound with molecular formula C22H15FN2O4S and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5Z)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: AN-698/41239445, 4-{[(2E,5Z)-5-{[5-(3-fluorophenyl)furan-2-yl]methylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid, 4-((E)-((Z)-5-((5-(3-fluorophenyl)furan-2-yl)methylene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 4-[[(5Z)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 4-((5-((5-(3-Fluorophenyl)furan-2-yl)methylene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid
| Molecular Formula | C22H15FN2O4S |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 5.0177 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.07367 |
| Heavy Atoms | 30 |
| Complexity | 1197.8564 |
Chemical Identifiers
| CAS Number | 444333-07-7 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)F)/SC1=NC4=CC=C(C=C4)C(=O)O |
Product Overview
AN-698/41239445 (CAS 444333-07-7), with molecular formula C22H15FN2O4S and molecular weight 422.07 g/mol. IUPAC: 4-[[(5Z)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of AN-698/41239445
Property Insights of AN-698/41239445
The XLogP value of 5.0177 indicates that AN-698/41239445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41239445. Following Lipinski's Rule of Five, AN-698/41239445 has 1 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-698/41239445?
The CAS number of AN-698/41239445 is 444333-07-7.
What is the molecular formula of AN-698/41239445?
The molecular formula of AN-698/41239445 is C22H15FN2O4S.
What is the molecular weight of AN-698/41239445?
The molecular weight of AN-698/41239445 is 422.07 g/mol.
Where can I buy AN-698/41239445?
You can request a quote for AN-698/41239445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41239445?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41239445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.