AN-698/40780052
TL;DR: AN-698/40780052 (CAS 431894-99-4) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
Also Known As: AN-698/40780052, 2-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide, 2-{5-[(2,7-dimethoxy-1-naphthyl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}-N-(4-methylphenyl)acetamide, 2-{(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}-N-(4-methylphenyl)acetamide, 2-{5-[(2,7-dimethoxynaphthyl)methylene]-2,4-dioxo(1,3-thiazolidin-3-yl)}-N-(4- methylphenyl)acetamide
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.84042 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1278.6969 |
Chemical Identifiers
| CAS Number | 431894-99-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=C(C=CC4=C3C=C(C=C4)OC)OC)/SC2=O |
Product Overview
AN-698/40780052 (CAS 431894-99-4), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: 2-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of AN-698/40780052
Property Insights of AN-698/40780052
The XLogP value of 4.84042 indicates that AN-698/40780052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40780052. Following Lipinski's Rule of Five, AN-698/40780052 has 1 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-698/40780052?
The CAS number of AN-698/40780052 is 431894-99-4.
What is the molecular formula of AN-698/40780052?
The molecular formula of AN-698/40780052 is C25H22N2O5S.
What is the molecular weight of AN-698/40780052?
The molecular weight of AN-698/40780052 is 462.12 g/mol.
Where can I buy AN-698/40780052?
You can request a quote for AN-698/40780052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40780052?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40780052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.