BAS 00779078
TL;DR: BAS 00779078 (CAS 369609-21-2) is a chemical compound with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: BAS 00779078, 2-(dimethylamino)ethyl 4-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoate, (Z)-2-(dimethylamino)ethyl 4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanoate, 2-(dimethylamino)ethyl 4-[4-oxo-5-(phenylmethylene)-2-thioxo-1,3-thiazolidin-3 -yl]butanoate, 2-dimethylaminoethyl 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
| Molecular Formula | C18H22N2O3S2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 2.7728 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.10718 |
| Heavy Atoms | 25 |
| Complexity | 659.54486 |
Chemical Identifiers
| CAS Number | 369609-21-2 |
|---|---|
| SMILES | CN(C)CCOC(=O)CCCN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=S |
Product Overview
BAS 00779078 (CAS 369609-21-2), with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol. IUPAC: 2-(dimethylamino)ethyl 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of BAS 00779078
Property Insights of BAS 00779078
The XLogP value of 2.7728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00779078. With a topological polar surface area (TPSA) of 49.85 Ų, BAS 00779078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00779078 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 00779078?
The CAS number of BAS 00779078 is 369609-21-2.
What is the molecular formula of BAS 00779078?
The molecular formula of BAS 00779078 is C18H22N2O3S2.
What is the molecular weight of BAS 00779078?
The molecular weight of BAS 00779078 is 378.11 g/mol.
Where can I buy BAS 00779078?
You can request a quote for BAS 00779078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779078?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.