RefChem:554820
TL;DR: RefChem:554820 (CAS 609796-61-4) is a chemical compound with molecular formula C32H34N2O7S and molecular weight 590.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-propoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Allyl 2-(3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 646-143-8, ALLYL 2-(3-(4-BUTOXYBENZOYL)-4-HYDROXY-5-OXO-2-(4-PROPOXYPHENYL)-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, ALLYL 2-[3-(4-BUTOXYBENZOYL)-4-HYDROXY-5-OXO-2-(4-PROPOXYPHENYL)-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, RefChem:554820
| Molecular Formula | C32H34N2O7S |
|---|---|
| Molecular Weight | 590.21 g/mol |
| LogP | 6.38832 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 590.2087 |
| Heavy Atoms | 42 |
| Complexity | 1475.4779 |
Chemical Identifiers
| CAS Number | 609796-61-4 |
|---|---|
| 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)OCCC)/O |
Product Overview
RefChem:554820 (CAS 609796-61-4), with molecular formula C32H34N2O7S and molecular weight 590.21 g/mol. IUPAC: prop-2-enyl 2-[(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-propoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:554820
Property Insights of RefChem:554820
The XLogP value of 6.38832 indicates that RefChem:554820 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:554820. Following Lipinski's Rule of Five, RefChem:554820 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:554820?
The CAS number of RefChem:554820 is 609796-61-4.
What is the molecular formula of RefChem:554820?
The molecular formula of RefChem:554820 is C32H34N2O7S.
What is the molecular weight of RefChem:554820?
The molecular weight of RefChem:554820 is 590.21 g/mol.
Where can I buy RefChem:554820?
You can request a quote for RefChem:554820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:554820?
Yes, KEHONG BIO provides custom synthesis services for RefChem:554820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.