RefChem:791591
TL;DR: RefChem:791591 (CAS 618076-17-8) is a chemical compound with molecular formula C32H36N2O8S and molecular weight 608.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Isobutyl 2-(3-(4-butoxybenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 645-840-4, ISOBUTYL 2-(3-(4-BUTOXYBENZOYL)-2-(3,4-DIMETHOXYPHENYL)-4-HYDROXY-5-OXO-2,5-DIHYD RO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, Isobutyl 2-[3-(4-butoxybenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihyd RO-1H-pyrrol-1-YL]-4-methyl-1,3-thiazole-5-carboxylate, RefChem:791591
| Molecular Formula | C32H36N2O8S |
|---|---|
| Molecular Weight | 608.22 g/mol |
| LogP | 6.08672 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 608.21924 |
| Heavy Atoms | 43 |
| Complexity | 1526.5598 |
Chemical Identifiers
| CAS Number | 618076-17-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC(C)C)C)C4=CC(=C(C=C4)OC)OC)/O |
Product Overview
RefChem:791591 (CAS 618076-17-8), with molecular formula C32H36N2O8S and molecular weight 608.22 g/mol. IUPAC: 2-methylpropyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:791591
Property Insights of RefChem:791591
The XLogP value of 6.08672 indicates that RefChem:791591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.49 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:791591. Following Lipinski's Rule of Five, RefChem:791591 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:791591?
The CAS number of RefChem:791591 is 618076-17-8.
What is the molecular formula of RefChem:791591?
The molecular formula of RefChem:791591 is C32H36N2O8S.
What is the molecular weight of RefChem:791591?
The molecular weight of RefChem:791591 is 608.22 g/mol.
Where can I buy RefChem:791591?
You can request a quote for RefChem:791591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:791591?
Yes, KEHONG BIO provides custom synthesis services for RefChem:791591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.