RefChem:813322
TL;DR: RefChem:813322 (CAS 617694-47-0) is a chemical compound with molecular formula C27H25ClN2O6S and molecular weight 540.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(4-chlorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 2-(3-(4-butoxybenzoyl)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, METHYL 2-[3-(4-BUTOXYBENZOYL)-2-(4-CHLOROPHENYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, 646-262-5, METHYL 2-(3-(4-BUTOXYBENZOYL)-2-(4-CHLOROPHENYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, RefChem:813322
| Molecular Formula | C27H25ClN2O6S |
|---|---|
| Molecular Weight | 540.11 g/mol |
| LogP | 5.69672 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.1122 |
| Heavy Atoms | 37 |
| Complexity | 1364.5382 |
Chemical Identifiers
| CAS Number | 617694-47-0 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)Cl)/O |
Product Overview
RefChem:813322 (CAS 617694-47-0), with molecular formula C27H25ClN2O6S and molecular weight 540.11 g/mol. IUPAC: methyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(4-chlorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:813322
Property Insights of RefChem:813322
The XLogP value of 5.69672 indicates that RefChem:813322 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 RefChem:813322. Following Lipinski's Rule of Five, RefChem:813322 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 RefChem:813322?
The CAS number of RefChem:813322 is 617694-47-0.
What is the molecular formula of RefChem:813322?
The molecular formula of RefChem:813322 is C27H25ClN2O6S.
What is the molecular weight of RefChem:813322?
The molecular weight of RefChem:813322 is 540.11 g/mol.
Where can I buy RefChem:813322?
You can request a quote for RefChem:813322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:813322?
Yes, KEHONG BIO provides custom synthesis services for RefChem:813322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.