BAS 00520828
TL;DR: BAS 00520828 (CAS 313964-71-5) is a chemical compound with molecular formula C20H16ClNO5S2 and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00520828, AB00090064-01, ((5E)-5-{4-[(4-CHLOROBENZYL)OXY]-3-METHOXYBENZYLIDENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)ACETIC ACID, (E)-2-(5-(4-((4-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5E)-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C20H16ClNO5S2 |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.01584 |
| Heavy Atoms | 29 |
| Complexity | 990.86615 |
Chemical Identifiers
| CAS Number | 313964-71-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OCC3=CC=C(C=C3)Cl |
Product Overview
BAS 00520828 (CAS 313964-71-5), with molecular formula C20H16ClNO5S2 and molecular weight 449.02 g/mol. IUPAC: 2-[(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00520828
Property Insights of BAS 00520828
The XLogP value of 4.2134 indicates that BAS 00520828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00520828. Following Lipinski's Rule of Five, BAS 00520828 has 1 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 BAS 00520828?
The CAS number of BAS 00520828 is 313964-71-5.
What is the molecular formula of BAS 00520828?
The molecular formula of BAS 00520828 is C20H16ClNO5S2.
What is the molecular weight of BAS 00520828?
The molecular weight of BAS 00520828 is 449.02 g/mol.
Where can I buy BAS 00520828?
You can request a quote for BAS 00520828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00520828?
Yes, KEHONG BIO provides custom synthesis services for BAS 00520828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.