RefChem:554807
TL;DR: RefChem:554807 (CAS 609796-68-1) is a chemical compound with molecular formula C33H36N2O7S and molecular weight 604.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-2-(4-butoxyphenyl)-3-[(4-butoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Allyl 2-(3-(4-butoxybenzoyl)-2-(4-butoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 646-139-6, Allyl 2-(3-(4-butoxybenzoyl)-2-(4-butoxyphenyl)-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-BUTOXYPHENYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, RefChem:554807
| Molecular Formula | C33H36N2O7S |
|---|---|
| Molecular Weight | 604.22 g/mol |
| LogP | 6.77842 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 604.2243 |
| Heavy Atoms | 43 |
| Complexity | 1492.3939 |
Chemical Identifiers
| CAS Number | 609796-68-1 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCCCC)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC=C)C |
Product Overview
RefChem:554807 (CAS 609796-68-1), with molecular formula C33H36N2O7S and molecular weight 604.22 g/mol. IUPAC: prop-2-enyl 2-[(3E)-2-(4-butoxyphenyl)-3-[(4-butoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:554807
Property Insights of RefChem:554807
The XLogP value of 6.77842 indicates that RefChem:554807 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:554807. Following Lipinski's Rule of Five, RefChem:554807 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:554807?
The CAS number of RefChem:554807 is 609796-68-1.
What is the molecular formula of RefChem:554807?
The molecular formula of RefChem:554807 is C33H36N2O7S.
What is the molecular weight of RefChem:554807?
The molecular weight of RefChem:554807 is 604.22 g/mol.
Where can I buy RefChem:554807?
You can request a quote for RefChem:554807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:554807?
Yes, KEHONG BIO provides custom synthesis services for RefChem:554807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.