AB00685612-01
TL;DR: AB00685612-01 (CAS 683230-97-9) is a chemical compound with molecular formula C20H16N2O5S2 and molecular weight 428.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-(1,3-benzodioxol-4-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide
Also Known As: AB00685612-01, F1103-0219, 3-[(5E)-5-[(2H-1,3-benzodioxol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide, (E)-3-(5-(benzo[d][1,3]dioxol-4-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(4-hydroxyphenyl)propanamide, 3-[(5E)-5-(1,3-benzodioxol-4-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide
| Molecular Formula | C20H16N2O5S2 |
|---|---|
| Molecular Weight | 428.05 g/mol |
| LogP | 3.3509 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.05005 |
| Heavy Atoms | 29 |
| Complexity | 1020.0317 |
Chemical Identifiers
| CAS Number | 683230-97-9 |
|---|---|
| SMILES | C1OC2=CC=CC(=C2O1)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)NC4=CC=C(C=C4)O |
Product Overview
AB00685612-01 (CAS 683230-97-9), with molecular formula C20H16N2O5S2 and molecular weight 428.05 g/mol. IUPAC: 3-[(5E)-5-(1,3-benzodioxol-4-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)propanamide.
Chemical Property Profile of AB00685612-01
Property Insights of AB00685612-01
The XLogP value of 3.3509 indicates that AB00685612-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685612-01. Following Lipinski's Rule of Five, AB00685612-01 has 2 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 AB00685612-01?
The CAS number of AB00685612-01 is 683230-97-9.
What is the molecular formula of AB00685612-01?
The molecular formula of AB00685612-01 is C20H16N2O5S2.
What is the molecular weight of AB00685612-01?
The molecular weight of AB00685612-01 is 428.05 g/mol.
Where can I buy AB00685612-01?
You can request a quote for AB00685612-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685612-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685612-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.