methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 609325-07-7) is a chemical compound with molecular formula C27H32N2O6 and molecular weight 480.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-1-[3-(diethylamino)propyl]-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-1-[3-(diethylamino)propyl]-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[(3Z)-1-[3-(diethylamino)propyl]-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{1-[3-(diethylamino)propyl]-4-hydroxy-3-[(3-methoxyphenyl)carbonyl]-5 -oxo-3-pyrrolin-2-yl}benzoate
| Molecular Formula | C27H32N2O6 |
|---|---|
| Molecular Weight | 480.23 g/mol |
| LogP | 3.6354 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 480.22604 |
| Heavy Atoms | 35 |
| Complexity | 1104.9095 |
Chemical Identifiers
| CAS Number | 609325-07-7 |
|---|---|
| SMILES | CCN(CC)CCCN1C(/C(=C(/C2=CC(=CC=C2)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 609325-07-7), with molecular formula C27H32N2O6 and molecular weight 480.23 g/mol. IUPAC: methyl 4-[(3E)-1-[3-(diethylamino)propyl]-3-[hydroxy-(3-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.6354 indicates that methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 hydrogen bond donor(s) and 7 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 methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 609325-07-7.
What is the molecular formula of methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C27H32N2O6.
What is the molecular weight of methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 480.23 g/mol.
Where can I buy methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1-(3-(diethylamino)propyl)-4-hydroxy-3-(3-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.