IFLab1_001592
TL;DR: IFLab1_001592 (CAS 330210-28-1) is a chemical compound with molecular formula C17H13NO3S2 and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: IFLab1_001592, F0393-0713, (Z)-2-(5-(naphthalen-1-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 2-[(5Z)-5-(1-naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C17H13NO3S2 |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 3.5141 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.0337 |
| Heavy Atoms | 23 |
| Complexity | 854.54224 |
Chemical Identifiers
| CAS Number | 330210-28-1 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)/C(=C/C2=CC=CC3=CC=CC=C32)/SC1=S |
Product Overview
IFLab1_001592 (CAS 330210-28-1), with molecular formula C17H13NO3S2 and molecular weight 343.03 g/mol. IUPAC: 2-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of IFLab1_001592
Property Insights of IFLab1_001592
The XLogP value of 3.5141 indicates that IFLab1_001592 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, IFLab1_001592 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_001592 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 IFLab1_001592?
The CAS number of IFLab1_001592 is 330210-28-1.
What is the molecular formula of IFLab1_001592?
The molecular formula of IFLab1_001592 is C17H13NO3S2.
What is the molecular weight of IFLab1_001592?
The molecular weight of IFLab1_001592 is 343.03 g/mol.
Where can I buy IFLab1_001592?
You can request a quote for IFLab1_001592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001592?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.