BAS 00520836
TL;DR: BAS 00520836 (CAS 331736-64-2) is a chemical compound with molecular formula C21H18ClNO3S2 and molecular weight 431.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00520836, 3-allyl-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one, (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C21H18ClNO3S2 |
|---|---|
| Molecular Weight | 431.04 g/mol |
| LogP | 5.3148 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.04166 |
| Heavy Atoms | 28 |
| Complexity | 941.16693 |
Chemical Identifiers
| CAS Number | 331736-64-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OCC3=CC=C(C=C3)Cl |
Product Overview
BAS 00520836 (CAS 331736-64-2), with molecular formula C21H18ClNO3S2 and molecular weight 431.04 g/mol. IUPAC: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00520836
Property Insights of BAS 00520836
The XLogP value of 5.3148 indicates that BAS 00520836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, BAS 00520836 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00520836 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00520836?
The CAS number of BAS 00520836 is 331736-64-2.
What is the molecular formula of BAS 00520836?
The molecular formula of BAS 00520836 is C21H18ClNO3S2.
What is the molecular weight of BAS 00520836?
The molecular weight of BAS 00520836 is 431.04 g/mol.
Where can I buy BAS 00520836?
You can request a quote for BAS 00520836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00520836?
Yes, KEHONG BIO provides custom synthesis services for BAS 00520836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.