RefChem:813332
TL;DR: RefChem:813332 (CAS 617695-36-0) is a chemical compound with molecular formula C30H32N2O9S and molecular weight 596.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 2-(3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 644-476-3, METHYL 2-(3-(4-BUTOXYBENZOYL)-4-HYDROXY-5-OXO-2-(3,4,5-TRIMETHOXYPHENYL)-2,5-DI HYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, Methyl 2-[3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2-(3,4,5-trimethoxyphenyl)-2,5-DI hydro-1H-pyrrol-1-YL]-4-methyl-1,3-thiazole-5-carboxylate, RefChem:813332
| Molecular Formula | C30H32N2O9S |
|---|---|
| Molecular Weight | 596.18 g/mol |
| LogP | 5.06912 |
| Topological Polar Surface Area | 133.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 596.18286 |
| Heavy Atoms | 42 |
| Complexity | 1502.9669 |
Chemical Identifiers
| CAS Number | 617695-36-0 |
|---|---|
| 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)OC)OC)OC)/O |
Product Overview
RefChem:813332 (CAS 617695-36-0), with molecular formula C30H32N2O9S and molecular weight 596.18 g/mol. IUPAC: methyl 2-[(4E)-4-[(4-butoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of RefChem:813332
Property Insights of RefChem:813332
The XLogP value of 5.06912 indicates that RefChem:813332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:813332. Following Lipinski's Rule of Five, RefChem:813332 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:813332?
The CAS number of RefChem:813332 is 617695-36-0.
What is the molecular formula of RefChem:813332?
The molecular formula of RefChem:813332 is C30H32N2O9S.
What is the molecular weight of RefChem:813332?
The molecular weight of RefChem:813332 is 596.18 g/mol.
Where can I buy RefChem:813332?
You can request a quote for RefChem:813332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:813332?
Yes, KEHONG BIO provides custom synthesis services for RefChem:813332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.