BAS 04800046
TL;DR: BAS 04800046 (CAS 380155-83-9) is a chemical compound with molecular formula C15H15NO5S2 and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 04800046, 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, F1103-0019, (E)-3-(5-(2,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-{5-[(2,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}prop anoic acid
| Molecular Formula | C15H15NO5S2 |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 2.3797 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.03915 |
| Heavy Atoms | 23 |
| Complexity | 686.4448 |
Chemical Identifiers
| CAS Number | 380155-83-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O)OC |
Product Overview
BAS 04800046 (CAS 380155-83-9), with molecular formula C15H15NO5S2 and molecular weight 353.04 g/mol. IUPAC: 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of BAS 04800046
Property Insights of BAS 04800046
The XLogP value of 2.3797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04800046. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04800046. Following Lipinski's Rule of Five, BAS 04800046 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 04800046?
The CAS number of BAS 04800046 is 380155-83-9.
What is the molecular formula of BAS 04800046?
The molecular formula of BAS 04800046 is C15H15NO5S2.
What is the molecular weight of BAS 04800046?
The molecular weight of BAS 04800046 is 353.04 g/mol.
Where can I buy BAS 04800046?
You can request a quote for BAS 04800046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04800046?
Yes, KEHONG BIO provides custom synthesis services for BAS 04800046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.