BAS 00779081
TL;DR: BAS 00779081 (CAS 265098-93-9) is a chemical compound with molecular formula C17H19NO4S2 and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: BAS 00779081, ethyl 4-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate, (Z)-ethyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate, ethyl 4-{5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}bu tanoate, ethyl 4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
| Molecular Formula | C17H19NO4S2 |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 3.2397 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.07556 |
| Heavy Atoms | 24 |
| Complexity | 655.0593 |
Chemical Identifiers
| CAS Number | 265098-93-9 |
|---|---|
| SMILES | CCOC(=O)CCCN1C(=O)/C(=C/C2=CC=C(C=C2)OC)/SC1=S |
Product Overview
BAS 00779081 (CAS 265098-93-9), with molecular formula C17H19NO4S2 and molecular weight 365.08 g/mol. IUPAC: ethyl 4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of BAS 00779081
Property Insights of BAS 00779081
The XLogP value of 3.2397 indicates that BAS 00779081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, BAS 00779081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00779081 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 00779081?
The CAS number of BAS 00779081 is 265098-93-9.
What is the molecular formula of BAS 00779081?
The molecular formula of BAS 00779081 is C17H19NO4S2.
What is the molecular weight of BAS 00779081?
The molecular weight of BAS 00779081 is 365.08 g/mol.
Where can I buy BAS 00779081?
You can request a quote for BAS 00779081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779081?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.