BAS 00871892
TL;DR: BAS 00871892 (CAS 304861-23-2) is a chemical compound with molecular formula C18H21NO6S2 and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00871892, 3-methyl-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid, F0393-0588, (E)-3-methyl-2-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)butanoic acid, 3-methyl-2-{4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene](1,3-thiazolid in-3-yl)}butanoic acid
| Molecular Formula | C18H21NO6S2 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 3.0228 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.08102 |
| Heavy Atoms | 27 |
| Complexity | 780.03674 |
Chemical Identifiers
| CAS Number | 304861-23-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C\C2=CC(=C(C(=C2)OC)OC)OC)/SC1=S |
Product Overview
BAS 00871892 (CAS 304861-23-2), with molecular formula C18H21NO6S2 and molecular weight 411.08 g/mol. IUPAC: 3-methyl-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BAS 00871892
Property Insights of BAS 00871892
The XLogP value of 3.0228 indicates that BAS 00871892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00871892. Following Lipinski's Rule of Five, BAS 00871892 has 1 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 BAS 00871892?
The CAS number of BAS 00871892 is 304861-23-2.
What is the molecular formula of BAS 00871892?
The molecular formula of BAS 00871892 is C18H21NO6S2.
What is the molecular weight of BAS 00871892?
The molecular weight of BAS 00871892 is 411.08 g/mol.
Where can I buy BAS 00871892?
You can request a quote for BAS 00871892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00871892?
Yes, KEHONG BIO provides custom synthesis services for BAS 00871892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.