MDG 582
TL;DR: MDG 582 (CAS 459197-34-3) is a chemical compound with molecular formula C21H18N2O6S2 and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: MDG 582, MDG582, AF-399/40992009, ethyl 2-[3-hydroxy-5-(5-methyl-2-furyl)-2-oxo-4-(2-thienylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-(3-hydroxy-5-(5-methyl-2-furyl)-2-oxo-4-(2-thienylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C21H18N2O6S2 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 4.37404 |
| Topological Polar Surface Area | 109.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.06064 |
| Heavy Atoms | 31 |
| Complexity | 1204.5398 |
Chemical Identifiers
| CAS Number | 459197-34-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(O4)C)C |
Product Overview
MDG 582 (CAS 459197-34-3), with molecular formula C21H18N2O6S2 and molecular weight 458.06 g/mol. IUPAC: ethyl 2-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of MDG 582
Property Insights of MDG 582
The XLogP value of 4.37404 indicates that MDG 582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.94 Ų falls within the moderate polarity range, balancing permeability and solubility for MDG 582. Following Lipinski's Rule of Five, MDG 582 has 1 hydrogen bond donor(s) and 9 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 MDG 582?
The CAS number of MDG 582 is 459197-34-3.
What is the molecular formula of MDG 582?
The molecular formula of MDG 582 is C21H18N2O6S2.
What is the molecular weight of MDG 582?
The molecular weight of MDG 582 is 458.06 g/mol.
Where can I buy MDG 582?
You can request a quote for MDG 582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MDG 582?
Yes, KEHONG BIO provides custom synthesis services for MDG 582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.