RefChem:554813
TL;DR: RefChem:554813 (CAS 609796-80-7) is a chemical compound with molecular formula C33H36N2O6S and molecular weight 588.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(4-tert-butylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Allyl 2-(3-(4-butoxybenzoyl)-2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 646-152-7, ALLYL 2-(3-(4-BUTOXYBENZOYL)-2-(4-TERT-BUTYLPHENYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, allyl 2-[3-(4-butoxybenzoyl)-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, RefChem:554813
| Molecular Formula | C33H36N2O6S |
|---|---|
| Molecular Weight | 588.23 g/mol |
| LogP | 6.89702 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 588.22943 |
| Heavy Atoms | 42 |
| Complexity | 1513.3076 |
Chemical Identifiers
| CAS Number | 609796-80-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC=C(C=C4)C(C)(C)C)/O |
Product Overview
RefChem:554813 (CAS 609796-80-7), with molecular formula C33H36N2O6S and molecular weight 588.23 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(4-tert-butylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:554813
Property Insights of RefChem:554813
The XLogP value of 6.89702 indicates that RefChem:554813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:554813. Following Lipinski's Rule of Five, RefChem:554813 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:554813?
The CAS number of RefChem:554813 is 609796-80-7.
What is the molecular formula of RefChem:554813?
The molecular formula of RefChem:554813 is C33H36N2O6S.
What is the molecular weight of RefChem:554813?
The molecular weight of RefChem:554813 is 588.23 g/mol.
Where can I buy RefChem:554813?
You can request a quote for RefChem:554813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:554813?
Yes, KEHONG BIO provides custom synthesis services for RefChem:554813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.