AN-698/40705385
TL;DR: AN-698/40705385 (CAS 443877-78-9) is a chemical compound with molecular formula C20H17N3O7S and molecular weight 443.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: AN-698/40705385, 3-((E)-((Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid, 3-[(5-{2-nitro-4,5-dimethoxybenzylidene}-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid, 3-[[(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid, 3-{[(2E,5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
| Molecular Formula | C20H17N3O7S |
|---|---|
| Molecular Weight | 443.08 g/mol |
| LogP | 3.544 |
| Topological Polar Surface Area | 131.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.07874 |
| Heavy Atoms | 31 |
| Complexity | 1143.5885 |
Chemical Identifiers
| CAS Number | 443877-78-9 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
AN-698/40705385 (CAS 443877-78-9), with molecular formula C20H17N3O7S and molecular weight 443.08 g/mol. IUPAC: 3-[[(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of AN-698/40705385
Property Insights of AN-698/40705385
The XLogP value of 3.544 indicates that AN-698/40705385 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40705385. Following Lipinski's Rule of Five, AN-698/40705385 has 1 hydrogen bond donor(s) and 8 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-698/40705385?
The CAS number of AN-698/40705385 is 443877-78-9.
What is the molecular formula of AN-698/40705385?
The molecular formula of AN-698/40705385 is C20H17N3O7S.
What is the molecular weight of AN-698/40705385?
The molecular weight of AN-698/40705385 is 443.08 g/mol.
Where can I buy AN-698/40705385?
You can request a quote for AN-698/40705385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40705385?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40705385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.