(E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid
TL;DR: (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid (CAS 690686-89-6) is a chemical compound with molecular formula C19H15NO7S and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
Also Known As: (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid, 4-(5-{(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid, 4-[5-[(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
| Molecular Formula | C19H15NO7S |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 3.16252 |
| Topological Polar Surface Area | 114.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.05692 |
| Heavy Atoms | 28 |
| Complexity | 1021.03955 |
Chemical Identifiers
| CAS Number | 690686-89-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)N(C(=O)S3)CC(=O)OC |
Product Overview
(E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid (CAS 690686-89-6), with molecular formula C19H15NO7S and molecular weight 401.06 g/mol. IUPAC: 4-[5-[(E)-[3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid.
Chemical Property Profile of (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid
Property Insights of (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid
The XLogP value of 3.16252 indicates that (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid. Following Lipinski's Rule of Five, (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid has 1 hydrogen bond donor(s) and 7 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 (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
The CAS number of (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid is 690686-89-6.
What is the molecular formula of (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
The molecular formula of (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid is C19H15NO7S.
What is the molecular weight of (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
The molecular weight of (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid is 401.06 g/mol.
Where can I buy (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
You can request a quote for (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(5-((3-(2-methoxy-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.