BAS 00474008
TL;DR: BAS 00474008 (CAS 313684-53-6) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00474008, {(5Z)-4-oxo-5-[4-(propan-2-yl)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, [5-(4-isopropylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C15H15NO3S2 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 3.0958 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.04935 |
| Heavy Atoms | 21 |
| Complexity | 620.31085 |
Chemical Identifiers
| CAS Number | 313684-53-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
BAS 00474008 (CAS 313684-53-6), with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00474008
Property Insights of BAS 00474008
The XLogP value of 3.0958 indicates that BAS 00474008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00474008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00474008 has 1 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 00474008?
The CAS number of BAS 00474008 is 313684-53-6.
What is the molecular formula of BAS 00474008?
The molecular formula of BAS 00474008 is C15H15NO3S2.
What is the molecular weight of BAS 00474008?
The molecular weight of BAS 00474008 is 321.05 g/mol.
Where can I buy BAS 00474008?
You can request a quote for BAS 00474008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00474008?
Yes, KEHONG BIO provides custom synthesis services for BAS 00474008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.