RefChem:813304
TL;DR: RefChem:813304 (CAS 618072-66-5) is a chemical compound with molecular formula C31H33FN2O7S and molecular weight 596.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(4-hexoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 2-(3-(3-fluoro-4-methylbenzoyl)-2-(4-(hexyloxy)-3-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 637-798-0, METHYL 2-(3-(3-FLUORO-4-METHYLBENZOYL)-2-(4-(HEXYLOXY)-3-METHOXYPHENYL)-4-HYDRO XY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, Methyl 2-{3-(3-fluoro-4-methylbenzoyl)-2-[4-(hexyloxy)-3-methoxyphenyl]-4-hydro XY-5-oxo-2,5-dihydro-1H-pyrrol-1-YL}-4-methyl-1,3-thiazole-5-carboxylate, RefChem:813304
| Molecular Formula | C31H33FN2O7S |
|---|---|
| Molecular Weight | 596.20 g/mol |
| LogP | 6.27964 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 596.1993 |
| Heavy Atoms | 42 |
| Complexity | 1547.9713 |
Chemical Identifiers
| CAS Number | 618072-66-5 |
|---|---|
| SMILES | CCCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C)OC |
Product Overview
RefChem:813304 (CAS 618072-66-5), with molecular formula C31H33FN2O7S and molecular weight 596.20 g/mol. IUPAC: methyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(4-hexoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:813304
Property Insights of RefChem:813304
The XLogP value of 6.27964 indicates that RefChem:813304 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:813304. Following Lipinski's Rule of Five, RefChem:813304 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:813304?
The CAS number of RefChem:813304 is 618072-66-5.
What is the molecular formula of RefChem:813304?
The molecular formula of RefChem:813304 is C31H33FN2O7S.
What is the molecular weight of RefChem:813304?
The molecular weight of RefChem:813304 is 596.20 g/mol.
Where can I buy RefChem:813304?
You can request a quote for RefChem:813304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:813304?
Yes, KEHONG BIO provides custom synthesis services for RefChem:813304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.