IDI1_020580
TL;DR: IDI1_020580 (CAS 313400-48-5) is a chemical compound with molecular formula C12H11NO4S2 and molecular weight 297.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: IDI1_020580, 2-[(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, F0393-0714, (E)-2-(5-((5-methylfuran-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 2-{5-[(5-methyl(2-furyl))methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propan oic acid
| Molecular Formula | C12H11NO4S2 |
|---|---|
| Molecular Weight | 297.01 g/mol |
| LogP | 2.26232 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.01294 |
| Heavy Atoms | 19 |
| Complexity | 590.3048 |
Chemical Identifiers
| CAS Number | 313400-48-5 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C/2\C(=O)N(C(=S)S2)C(C)C(=O)O |
Product Overview
IDI1_020580 (CAS 313400-48-5), with molecular formula C12H11NO4S2 and molecular weight 297.01 g/mol. IUPAC: 2-[(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of IDI1_020580
Property Insights of IDI1_020580
The XLogP value of 2.26232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_020580. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_020580. Following Lipinski's Rule of Five, IDI1_020580 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 IDI1_020580?
The CAS number of IDI1_020580 is 313400-48-5.
What is the molecular formula of IDI1_020580?
The molecular formula of IDI1_020580 is C12H11NO4S2.
What is the molecular weight of IDI1_020580?
The molecular weight of IDI1_020580 is 297.01 g/mol.
Where can I buy IDI1_020580?
You can request a quote for IDI1_020580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_020580?
Yes, KEHONG BIO provides custom synthesis services for IDI1_020580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.