CAS 617694-45-8 - C31H32N2O8S
TL;DR: CAS 617694-45-8 - C31H32N2O8S (CAS 617694-45-8) is a chemical compound with molecular formula C31H32N2O8S and molecular weight 592.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Allyl 2-(3-(4-butoxybenzoyl)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
| Molecular Formula | C31H32N2O8S |
|---|---|
| Molecular Weight | 592.19 g/mol |
| LogP | 5.70382 |
| Topological Polar Surface Area | 135.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 592.1879 |
| Heavy Atoms | 42 |
| Complexity | 1526.1277 |
Chemical Identifiers
| CAS Number | 617694-45-8 |
|---|---|
| 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)O)OCC)/O |
Product Overview
CAS 617694-45-8 - C31H32N2O8S (CAS 617694-45-8), with molecular formula C31H32N2O8S and molecular weight 592.19 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of CAS 617694-45-8 - C31H32N2O8S
Property Insights of CAS 617694-45-8 - C31H32N2O8S
The XLogP value of 5.70382 indicates that CAS 617694-45-8 - C31H32N2O8S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.49 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 617694-45-8 - C31H32N2O8S. Following Lipinski's Rule of Five, CAS 617694-45-8 - C31H32N2O8S has 2 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 CAS 617694-45-8 - C31H32N2O8S?
The CAS number of CAS 617694-45-8 - C31H32N2O8S is 617694-45-8.
What is the molecular formula of CAS 617694-45-8 - C31H32N2O8S?
The molecular formula of CAS 617694-45-8 - C31H32N2O8S is C31H32N2O8S.
What is the molecular weight of CAS 617694-45-8 - C31H32N2O8S?
The molecular weight of CAS 617694-45-8 - C31H32N2O8S is 592.19 g/mol.
Where can I buy CAS 617694-45-8 - C31H32N2O8S?
You can request a quote for CAS 617694-45-8 - C31H32N2O8S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 617694-45-8 - C31H32N2O8S?
Yes, KEHONG BIO provides custom synthesis services for CAS 617694-45-8 - C31H32N2O8S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.