AB00118694-01
TL;DR: AB00118694-01 (CAS 431941-75-2) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
Also Known As: AB00118694-01, 2-[(5Z)-5-(3,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide, 2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.68722 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 985.06604 |
Chemical Identifiers
| CAS Number | 431941-75-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/SC2=O |
Product Overview
AB00118694-01 (CAS 431941-75-2), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: 2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of AB00118694-01
Property Insights of AB00118694-01
The XLogP value of 3.68722 indicates that AB00118694-01 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 AB00118694-01. Following Lipinski's Rule of Five, AB00118694-01 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 AB00118694-01?
The CAS number of AB00118694-01 is 431941-75-2.
What is the molecular formula of AB00118694-01?
The molecular formula of AB00118694-01 is C21H20N2O5S.
What is the molecular weight of AB00118694-01?
The molecular weight of AB00118694-01 is 412.11 g/mol.
Where can I buy AB00118694-01?
You can request a quote for AB00118694-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118694-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118694-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.