BAS 00871928
TL;DR: BAS 00871928 (CAS 307342-69-4) is a chemical compound with molecular formula C17H19NO5S3 and molecular weight 413.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid
Also Known As: BAS 00871928, AB00095750-01, F0393-0697, 2-[(5E)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]-4-(METHYLSULFANYL)BUTANOIC ACID, (E)-2-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-(methylthio)butanoic acid
| Molecular Formula | C17H19NO5S3 |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | 3.1113 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.04254 |
| Heavy Atoms | 26 |
| Complexity | 749.91394 |
Chemical Identifiers
| CAS Number | 307342-69-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C(CCSC)C(=O)O)OC |
Product Overview
BAS 00871928 (CAS 307342-69-4), with molecular formula C17H19NO5S3 and molecular weight 413.04 g/mol. IUPAC: 2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of BAS 00871928
Property Insights of BAS 00871928
The XLogP value of 3.1113 indicates that BAS 00871928 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 00871928. Following Lipinski's Rule of Five, BAS 00871928 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 00871928?
The CAS number of BAS 00871928 is 307342-69-4.
What is the molecular formula of BAS 00871928?
The molecular formula of BAS 00871928 is C17H19NO5S3.
What is the molecular weight of BAS 00871928?
The molecular weight of BAS 00871928 is 413.04 g/mol.
Where can I buy BAS 00871928?
You can request a quote for BAS 00871928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00871928?
Yes, KEHONG BIO provides custom synthesis services for BAS 00871928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.