RefChem:554800
TL;DR: RefChem:554800 (CAS 617697-32-2) is a chemical compound with molecular formula C29H27FN2O8S and molecular weight 582.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Allyl 2-(3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 643-816-8, Allyl 2-(3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2-(3,4,5-trimethoxypheny L)-2,5-dihydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylate, ALLYL 2-[3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-5-OXO-2-(3,4,5-TRIMETHOXYPHENY L)-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, RefChem:554800
| Molecular Formula | C29H27FN2O8S |
|---|---|
| Molecular Weight | 582.15 g/mol |
| LogP | 4.89394 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 582.1472 |
| Heavy Atoms | 41 |
| Complexity | 1570.312 |
Chemical Identifiers
| CAS Number | 617697-32-2 |
|---|---|
| SMILES | CC1=C(C=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)OC)OC)OC)/O)F |
Product Overview
RefChem:554800 (CAS 617697-32-2), with molecular formula C29H27FN2O8S and molecular weight 582.15 g/mol. IUPAC: prop-2-enyl 2-[(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:554800
Property Insights of RefChem:554800
The XLogP value of 4.89394 indicates that RefChem:554800 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:554800. Following Lipinski's Rule of Five, RefChem:554800 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:554800?
The CAS number of RefChem:554800 is 617697-32-2.
What is the molecular formula of RefChem:554800?
The molecular formula of RefChem:554800 is C29H27FN2O8S.
What is the molecular weight of RefChem:554800?
The molecular weight of RefChem:554800 is 582.15 g/mol.
Where can I buy RefChem:554800?
You can request a quote for RefChem:554800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:554800?
Yes, KEHONG BIO provides custom synthesis services for RefChem:554800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.