CAS 617698-26-7 - C31H25FN2O6S
TL;DR: CAS 617698-26-7 - C31H25FN2O6S (CAS 617698-26-7) is a chemical compound with molecular formula C31H25FN2O6S and molecular weight 572.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-phenoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
| Molecular Formula | C31H25FN2O6S |
|---|---|
| Molecular Weight | 572.14 g/mol |
| LogP | 6.49434 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.1417 |
| Heavy Atoms | 41 |
| Complexity | 1697.9409 |
Chemical Identifiers
| CAS Number | 617698-26-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C2=O)C4=CC(=CC=C4)OC5=CC=CC=C5)C |
Product Overview
CAS 617698-26-7 - C31H25FN2O6S (CAS 617698-26-7), with molecular formula C31H25FN2O6S and molecular weight 572.14 g/mol. IUPAC: ethyl 2-[(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-phenoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of CAS 617698-26-7 - C31H25FN2O6S
Property Insights of CAS 617698-26-7 - C31H25FN2O6S
The XLogP value of 6.49434 indicates that CAS 617698-26-7 - C31H25FN2O6S 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 CAS 617698-26-7 - C31H25FN2O6S. Following Lipinski's Rule of Five, CAS 617698-26-7 - C31H25FN2O6S 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 CAS 617698-26-7 - C31H25FN2O6S?
The CAS number of CAS 617698-26-7 - C31H25FN2O6S is 617698-26-7.
What is the molecular formula of CAS 617698-26-7 - C31H25FN2O6S?
The molecular formula of CAS 617698-26-7 - C31H25FN2O6S is C31H25FN2O6S.
What is the molecular weight of CAS 617698-26-7 - C31H25FN2O6S?
The molecular weight of CAS 617698-26-7 - C31H25FN2O6S is 572.14 g/mol.
Where can I buy CAS 617698-26-7 - C31H25FN2O6S?
You can request a quote for CAS 617698-26-7 - C31H25FN2O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 617698-26-7 - C31H25FN2O6S?
Yes, KEHONG BIO provides custom synthesis services for CAS 617698-26-7 - C31H25FN2O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.