IFLab1_003865
TL;DR: IFLab1_003865 (CAS 315692-54-7) is a chemical compound with molecular formula C17H13NO5S2 and molecular weight 375.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Also Known As: IFLab1_003865, IDI1_009972, F0825-0366, (E)-2-(2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)acetic acid, 2-[2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C17H13NO5S2 |
|---|---|
| Molecular Weight | 375.02 g/mol |
| LogP | 3.1444 |
| Topological Polar Surface Area | 79.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.02353 |
| Heavy Atoms | 25 |
| Complexity | 844.4829 |
Chemical Identifiers
| CAS Number | 315692-54-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CO3)OCC(=O)O |
Product Overview
IFLab1_003865 (CAS 315692-54-7), with molecular formula C17H13NO5S2 and molecular weight 375.02 g/mol. IUPAC: 2-[2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of IFLab1_003865
Property Insights of IFLab1_003865
The XLogP value of 3.1444 indicates that IFLab1_003865 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.98 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003865. Following Lipinski's Rule of Five, IFLab1_003865 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_003865?
The CAS number of IFLab1_003865 is 315692-54-7.
What is the molecular formula of IFLab1_003865?
The molecular formula of IFLab1_003865 is C17H13NO5S2.
What is the molecular weight of IFLab1_003865?
The molecular weight of IFLab1_003865 is 375.02 g/mol.
Where can I buy IFLab1_003865?
You can request a quote for IFLab1_003865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003865?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.