BAS 00534041
TL;DR: BAS 00534041 (CAS 300827-01-4) is a chemical compound with molecular formula C16H17NO4S2 and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: BAS 00534041, AB00089680-01, ethyl 3-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate, F0393-0539, (Z)-ethyl 3-(5-(3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate
| Molecular Formula | C16H17NO4S2 |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 2.8496 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0599 |
| Heavy Atoms | 23 |
| Complexity | 657.2352 |
Chemical Identifiers
| CAS Number | 300827-01-4 |
|---|---|
| SMILES | CCOC(=O)CCN1C(=O)/C(=C/C2=CC(=CC=C2)OC)/SC1=S |
Product Overview
BAS 00534041 (CAS 300827-01-4), with molecular formula C16H17NO4S2 and molecular weight 351.06 g/mol. IUPAC: ethyl 3-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of BAS 00534041
Property Insights of BAS 00534041
The XLogP value of 2.8496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00534041. With a topological polar surface area (TPSA) of 55.84 Ų, BAS 00534041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00534041 has 0 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 00534041?
The CAS number of BAS 00534041 is 300827-01-4.
What is the molecular formula of BAS 00534041?
The molecular formula of BAS 00534041 is C16H17NO4S2.
What is the molecular weight of BAS 00534041?
The molecular weight of BAS 00534041 is 351.06 g/mol.
Where can I buy BAS 00534041?
You can request a quote for BAS 00534041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00534041?
Yes, KEHONG BIO provides custom synthesis services for BAS 00534041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.