AB00685431-01
TL;DR: AB00685431-01 (CAS 403829-61-8) is a chemical compound with molecular formula C18H17N3O4S3 and molecular weight 435.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
Also Known As: AB00685431-01, 3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide, F1004-0061, (Z)-3-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(thiazol-2-yl)propanamide, 3-[(5Z)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
| Molecular Formula | C18H17N3O4S3 |
|---|---|
| Molecular Weight | 435.04 g/mol |
| LogP | 3.3903 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.03812 |
| Heavy Atoms | 28 |
| Complexity | 928.162 |
Chemical Identifiers
| CAS Number | 403829-61-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=NC=CS3)OC |
Product Overview
AB00685431-01 (CAS 403829-61-8), with molecular formula C18H17N3O4S3 and molecular weight 435.04 g/mol. IUPAC: 3-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide.
Chemical Property Profile of AB00685431-01
Property Insights of AB00685431-01
The XLogP value of 3.3903 indicates that AB00685431-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685431-01. Following Lipinski's Rule of Five, AB00685431-01 has 1 hydrogen bond donor(s) and 8 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 AB00685431-01?
The CAS number of AB00685431-01 is 403829-61-8.
What is the molecular formula of AB00685431-01?
The molecular formula of AB00685431-01 is C18H17N3O4S3.
What is the molecular weight of AB00685431-01?
The molecular weight of AB00685431-01 is 435.04 g/mol.
Where can I buy AB00685431-01?
You can request a quote for AB00685431-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685431-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685431-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.