BAS 01913812
TL;DR: BAS 01913812 (CAS 303117-19-3) 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.
methyl 3-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: BAS 01913812, (E)-methyl 3-(5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate, F3095-4181, methyl 3-[(5E)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate, methyl 3-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C15H15NO5S2 |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 2.1651 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.03915 |
| Heavy Atoms | 23 |
| Complexity | 686.4448 |
Chemical Identifiers
| CAS Number | 303117-19-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)OC)O |
Product Overview
BAS 01913812 (CAS 303117-19-3), with molecular formula C15H15NO5S2 and molecular weight 353.04 g/mol. IUPAC: methyl 3-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of BAS 01913812
Property Insights of BAS 01913812
The XLogP value of 2.1651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01913812. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01913812. Following Lipinski's Rule of Five, BAS 01913812 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 01913812?
The CAS number of BAS 01913812 is 303117-19-3.
What is the molecular formula of BAS 01913812?
The molecular formula of BAS 01913812 is C15H15NO5S2.
What is the molecular weight of BAS 01913812?
The molecular weight of BAS 01913812 is 353.04 g/mol.
Where can I buy BAS 01913812?
You can request a quote for BAS 01913812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01913812?
Yes, KEHONG BIO provides custom synthesis services for BAS 01913812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.