BAS 00534045
TL;DR: BAS 00534045 (CAS 325821-32-7) is a chemical compound with molecular formula C18H22N2O4S2 and molecular weight 394.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: BAS 00534045, AB00088194-01, 2-(dimethylamino)ethyl 3-[(5Z)-5-(2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate, (Z)-2-(dimethylamino)ethyl 3-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate, 2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C18H22N2O4S2 |
|---|---|
| Molecular Weight | 394.10 g/mol |
| LogP | 2.3913 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.1021 |
| Heavy Atoms | 26 |
| Complexity | 718.8976 |
Chemical Identifiers
| CAS Number | 325821-32-7 |
|---|---|
| SMILES | CN(C)CCOC(=O)CCN1C(=O)/C(=C/C2=CC=CC=C2OC)/SC1=S |
Product Overview
BAS 00534045 (CAS 325821-32-7), with molecular formula C18H22N2O4S2 and molecular weight 394.10 g/mol. IUPAC: 2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of BAS 00534045
Property Insights of BAS 00534045
The XLogP value of 2.3913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00534045. With a topological polar surface area (TPSA) of 59.08 Ų, BAS 00534045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00534045 has 0 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 00534045?
The CAS number of BAS 00534045 is 325821-32-7.
What is the molecular formula of BAS 00534045?
The molecular formula of BAS 00534045 is C18H22N2O4S2.
What is the molecular weight of BAS 00534045?
The molecular weight of BAS 00534045 is 394.10 g/mol.
Where can I buy BAS 00534045?
You can request a quote for BAS 00534045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00534045?
Yes, KEHONG BIO provides custom synthesis services for BAS 00534045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.