TimTec1_006838
TL;DR: TimTec1_006838 (CAS 433305-54-5) is a chemical compound with molecular formula C26H24N2O6S and molecular weight 492.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: TimTec1_006838, BAS 03787756, ethyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C26H24N2O6S |
|---|---|
| Molecular Weight | 492.14 g/mol |
| LogP | 4.57154 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.1355 |
| Heavy Atoms | 35 |
| Complexity | 1345.1268 |
Chemical Identifiers
| CAS Number | 433305-54-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC(=C(C=C3)OC)C)\O)/C(=O)C2=O)C4=CC=CC=C4)C |
Product Overview
TimTec1_006838 (CAS 433305-54-5), with molecular formula C26H24N2O6S and molecular weight 492.14 g/mol. IUPAC: ethyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of TimTec1_006838
Property Insights of TimTec1_006838
The XLogP value of 4.57154 indicates that TimTec1_006838 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 TimTec1_006838. Following Lipinski's Rule of Five, TimTec1_006838 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_006838?
The CAS number of TimTec1_006838 is 433305-54-5.
What is the molecular formula of TimTec1_006838?
The molecular formula of TimTec1_006838 is C26H24N2O6S.
What is the molecular weight of TimTec1_006838?
The molecular weight of TimTec1_006838 is 492.14 g/mol.
Where can I buy TimTec1_006838?
You can request a quote for TimTec1_006838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006838?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.