![1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one structure](/static/products/577/577990-86-4.png)
1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one
TL;DR: 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one (CAS 577990-86-4) is a chemical compound with molecular formula C31H40N2O6 and molecular weight 536.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-[3-(diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Also Known As: 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one, (4E)-1-[3-(diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
| Molecular Formula | C31H40N2O6 |
|---|---|
| Molecular Weight | 536.29 g/mol |
| LogP | 5.0363 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 536.28864 |
| Heavy Atoms | 39 |
| Complexity | 1203.3153 |
Chemical Identifiers
| CAS Number | 577990-86-4 |
|---|---|
| SMILES | CCN(CC)CCCN1C(/C(=C(/C2=CC3=C(C=C2)OCCO3)\O)/C(=O)C1=O)C4=CC(=CC=C4)OCCC(C)C |
Product Overview
1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one (CAS 577990-86-4), with molecular formula C31H40N2O6 and molecular weight 536.29 g/mol. IUPAC: (4E)-1-[3-(diethylamino)propyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one
Property Insights of 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one
The XLogP value of 5.0363 indicates that 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one. Following Lipinski's Rule of Five, 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one?
The CAS number of 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one is 577990-86-4.
What is the molecular formula of 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one?
The molecular formula of 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one is C31H40N2O6.
What is the molecular weight of 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one?
The molecular weight of 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one is 536.29 g/mol.
Where can I buy 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one?
You can request a quote for 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(diethylamino)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1h-pyrrol-2(5h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.