AB00115176-01
TL;DR: AB00115176-01 (CAS 431883-00-0) is a chemical compound with molecular formula C21H19FN2O6S and molecular weight 446.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-2,4-dioxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
Also Known As: AB00115176-01, 2-[(5Z)-2,4-dioxo-5-(2,3,4-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide, 2-[(5Z)-2,4-dioxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide, 2-[2,4-dioxo-5-(2,3,4-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide, 2-{2,4-dioxo-5-[(2,3,4-trimethoxyphenyl)methylene](1,3-thiazolidin-3-yl)}-N-(2 -fluorophenyl)acetamide
| Molecular Formula | C21H19FN2O6S |
|---|---|
| Molecular Weight | 446.09 g/mol |
| LogP | 3.5265 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.0948 |
| Heavy Atoms | 31 |
| Complexity | 1071.8307 |
Chemical Identifiers
| CAS Number | 431883-00-0 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F)OC)OC |
Product Overview
AB00115176-01 (CAS 431883-00-0), with molecular formula C21H19FN2O6S and molecular weight 446.09 g/mol. IUPAC: 2-[(5Z)-2,4-dioxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of AB00115176-01
Property Insights of AB00115176-01
The XLogP value of 3.5265 indicates that AB00115176-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115176-01. Following Lipinski's Rule of Five, AB00115176-01 has 1 hydrogen bond donor(s) and 7 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 AB00115176-01?
The CAS number of AB00115176-01 is 431883-00-0.
What is the molecular formula of AB00115176-01?
The molecular formula of AB00115176-01 is C21H19FN2O6S.
What is the molecular weight of AB00115176-01?
The molecular weight of AB00115176-01 is 446.09 g/mol.
Where can I buy AB00115176-01?
You can request a quote for AB00115176-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115176-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115176-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.