BAS 00336571
TL;DR: BAS 00336571 (CAS 4996-80-9) is a chemical compound with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-methylquinolin-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00336571, 5-(1-methylquinolin-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-(1-Methylquinolin-2(1H)-ylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C16H14N2OS2 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 3.4075 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.05475 |
| Heavy Atoms | 21 |
| Complexity | 705.98346 |
Chemical Identifiers
| CAS Number | 4996-80-9 |
|---|---|
| SMILES | CN1C(=C2C(=O)N(C(=S)S2)CC=C)C=CC3=CC=CC=C31 |
Product Overview
BAS 00336571 (CAS 4996-80-9), with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol. IUPAC: 5-(1-methylquinolin-2-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00336571
Property Insights of BAS 00336571
The XLogP value of 3.4075 indicates that BAS 00336571 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, BAS 00336571 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00336571 has 0 hydrogen bond donor(s) and 4 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 00336571?
The CAS number of BAS 00336571 is 4996-80-9.
What is the molecular formula of BAS 00336571?
The molecular formula of BAS 00336571 is C16H14N2OS2.
What is the molecular weight of BAS 00336571?
The molecular weight of BAS 00336571 is 314.05 g/mol.
Where can I buy BAS 00336571?
You can request a quote for BAS 00336571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00336571?
Yes, KEHONG BIO provides custom synthesis services for BAS 00336571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.