MssL-IN-2I
TL;DR: MssL-IN-2I (CAS 305376-89-0) is a chemical compound with molecular formula C17H10N2O5S2 and molecular weight 386.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: MssL-IN-2I, 4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, (Z)-4-(5-(4-Nitrobenzylidene)-4-oxo-2-thioxotetrahydrothiophen-3-yl)benzoic acid, 4-[(5Z)-5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid, 4-[5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic Acid
| Molecular Formula | C17H10N2O5S2 |
|---|---|
| Molecular Weight | 386.00 g/mol |
| LogP | 3.6988 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0031 |
| Heavy Atoms | 26 |
| Complexity | 952.1235 |
Chemical Identifiers
| CAS Number | 305376-89-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
MssL-IN-2I (CAS 305376-89-0), with molecular formula C17H10N2O5S2 and molecular weight 386.00 g/mol. IUPAC: 4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of MssL-IN-2I
Property Insights of MssL-IN-2I
The XLogP value of 3.6988 indicates that MssL-IN-2I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for MssL-IN-2I. Following Lipinski's Rule of Five, MssL-IN-2I 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 MssL-IN-2I?
The CAS number of MssL-IN-2I is 305376-89-0.
What is the molecular formula of MssL-IN-2I?
The molecular formula of MssL-IN-2I is C17H10N2O5S2.
What is the molecular weight of MssL-IN-2I?
The molecular weight of MssL-IN-2I is 386.00 g/mol.
Where can I buy MssL-IN-2I?
You can request a quote for MssL-IN-2I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MssL-IN-2I?
Yes, KEHONG BIO provides custom synthesis services for MssL-IN-2I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.