AB00114341-01
TL;DR: AB00114341-01 (CAS 431066-72-7) is a chemical compound with molecular formula C20H17ClN2O5S and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
Also Known As: AB00114341-01, AN-698/40781644, 2-[(5Z)-5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide, 2-[(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide, 2-[5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C20H17ClN2O5S |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 4.03762 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.05466 |
| Heavy Atoms | 29 |
| Complexity | 1020.2768 |
Chemical Identifiers
| CAS Number | 431066-72-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)O)OC)/SC2=O |
Product Overview
AB00114341-01 (CAS 431066-72-7), with molecular formula C20H17ClN2O5S and molecular weight 432.05 g/mol. IUPAC: 2-[(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of AB00114341-01
Property Insights of AB00114341-01
The XLogP value of 4.03762 indicates that AB00114341-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114341-01. Following Lipinski's Rule of Five, AB00114341-01 has 2 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 AB00114341-01?
The CAS number of AB00114341-01 is 431066-72-7.
What is the molecular formula of AB00114341-01?
The molecular formula of AB00114341-01 is C20H17ClN2O5S.
What is the molecular weight of AB00114341-01?
The molecular weight of AB00114341-01 is 432.05 g/mol.
Where can I buy AB00114341-01?
You can request a quote for AB00114341-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114341-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114341-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.