AB00109552-01
TL;DR: AB00109552-01 (CAS 404838-30-8) is a chemical compound with molecular formula C20H18ClNO4S2 and molecular weight 435.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Also Known As: AB00109552-01, (5Z)-3-(4-chlorobenzyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one, (5Z)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one, 3-(4-chlorobenzyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one
| Molecular Formula | C20H18ClNO4S2 |
|---|---|
| Molecular Weight | 435.04 g/mol |
| LogP | 4.7672 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.0366 |
| Heavy Atoms | 28 |
| Complexity | 918.71704 |
Chemical Identifiers
| CAS Number | 404838-30-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)CC3=CC=C(C=C3)Cl |
Product Overview
AB00109552-01 (CAS 404838-30-8), with molecular formula C20H18ClNO4S2 and molecular weight 435.04 g/mol. IUPAC: (5Z)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00109552-01
Property Insights of AB00109552-01
The XLogP value of 4.7672 indicates that AB00109552-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, AB00109552-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00109552-01 has 0 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 AB00109552-01?
The CAS number of AB00109552-01 is 404838-30-8.
What is the molecular formula of AB00109552-01?
The molecular formula of AB00109552-01 is C20H18ClNO4S2.
What is the molecular weight of AB00109552-01?
The molecular weight of AB00109552-01 is 435.04 g/mol.
Where can I buy AB00109552-01?
You can request a quote for AB00109552-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109552-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109552-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.