RefChem:593769
TL;DR: RefChem:593769 (CAS 609796-51-2) is a chemical compound with molecular formula C27H27N3O6S and molecular weight 521.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 647-516-8, ETHYL 2-(3-(4-BUTOXYBENZOYL)-4-HYDROXY-5-OXO-2-(3-PYRIDINYL)-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, ETHYL 2-[3-(4-BUTOXYBENZOYL)-4-HYDROXY-5-OXO-2-(3-PYRIDINYL)-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, RefChem:593769
| Molecular Formula | C27H27N3O6S |
|---|---|
| Molecular Weight | 521.16 g/mol |
| LogP | 4.82842 |
| Topological Polar Surface Area | 118.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.16205 |
| Heavy Atoms | 37 |
| Complexity | 1333.9312 |
Chemical Identifiers
| CAS Number | 609796-51-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CN=CC=C4)/O |
Product Overview
RefChem:593769 (CAS 609796-51-2), with molecular formula C27H27N3O6S and molecular weight 521.16 g/mol. IUPAC: ethyl 2-[(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-pyridin-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:593769
Property Insights of RefChem:593769
The XLogP value of 4.82842 indicates that RefChem:593769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.92 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:593769. Following Lipinski's Rule of Five, RefChem:593769 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:593769?
The CAS number of RefChem:593769 is 609796-51-2.
What is the molecular formula of RefChem:593769?
The molecular formula of RefChem:593769 is C27H27N3O6S.
What is the molecular weight of RefChem:593769?
The molecular weight of RefChem:593769 is 521.16 g/mol.
Where can I buy RefChem:593769?
You can request a quote for RefChem:593769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:593769?
Yes, KEHONG BIO provides custom synthesis services for RefChem:593769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.