J3.417.762G
TL;DR: J3.417.762G (CAS 82158-55-2) is a chemical compound with molecular formula C13H11NO4S2 and molecular weight 309.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: J3.417.762G, [5- -4-oxo-2-thioxo-thiazolidin-3-yl]-aceticacid, 2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, [5-(4-Methoxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid, [5-(4-Methoxybenzylidene)-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid
| Molecular Formula | C13H11NO4S2 |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 1.981 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.01294 |
| Heavy Atoms | 20 |
| Complexity | 594.8937 |
Chemical Identifiers
| CAS Number | 82158-55-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
J3.417.762G (CAS 82158-55-2), with molecular formula C13H11NO4S2 and molecular weight 309.01 g/mol. IUPAC: 2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of J3.417.762G
Property Insights of J3.417.762G
The XLogP value of 1.981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.417.762G. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.417.762G. Following Lipinski's Rule of Five, J3.417.762G has 1 hydrogen bond donor(s) and 5 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 J3.417.762G?
The CAS number of J3.417.762G is 82158-55-2.
What is the molecular formula of J3.417.762G?
The molecular formula of J3.417.762G is C13H11NO4S2.
What is the molecular weight of J3.417.762G?
The molecular weight of J3.417.762G is 309.01 g/mol.
Where can I buy J3.417.762G?
You can request a quote for J3.417.762G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.417.762G?
Yes, KEHONG BIO provides custom synthesis services for J3.417.762G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.