IFLab1_003821
TL;DR: IFLab1_003821 (CAS 315692-44-5) is a chemical compound with molecular formula C17H12N2O4S2 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-(4-oxo-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: IFLab1_003821, IDI1_009928, VU0488759-1, F0825-0355, (E)-2-(2-((4-oxo-3-(pyridin-3-yl)-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid
| Molecular Formula | C17H12N2O4S2 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 2.9508 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.02383 |
| Heavy Atoms | 25 |
| Complexity | 867.96136 |
Chemical Identifiers
| CAS Number | 315692-44-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CN=CC=C3)OCC(=O)O |
Product Overview
IFLab1_003821 (CAS 315692-44-5), with molecular formula C17H12N2O4S2 and molecular weight 372.02 g/mol. IUPAC: 2-[2-[(E)-(4-oxo-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of IFLab1_003821
Property Insights of IFLab1_003821
The XLogP value of 2.9508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_003821. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003821. Following Lipinski's Rule of Five, IFLab1_003821 has 1 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 IFLab1_003821?
The CAS number of IFLab1_003821 is 315692-44-5.
What is the molecular formula of IFLab1_003821?
The molecular formula of IFLab1_003821 is C17H12N2O4S2.
What is the molecular weight of IFLab1_003821?
The molecular weight of IFLab1_003821 is 372.02 g/mol.
Where can I buy IFLab1_003821?
You can request a quote for IFLab1_003821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003821?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.