![1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one structure](/static/products/4782/478259-81-3.webp)
1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one
TL;DR: 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one (CAS 478259-81-3) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one
Also Known As: 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one, 1-[5-(morpholinocarbonyl)-1H-pyrrol-3-yl]-1-butanone, 1-[5-(MORPHOLINE-4-CARBONYL)-1H-PYRROL-3-YL]-BUTAN-1-ONE
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 1.4699 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 433.19968 |
Chemical Identifiers
| CAS Number | 478259-81-3 |
|---|---|
| SMILES | CCCC(=O)C1=CNC(=C1)C(=O)N2CCOCC2 |
Product Overview
1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one (CAS 478259-81-3), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one.
Chemical Property Profile of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one
Property Insights of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one
The XLogP value of 1.4699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one. Following Lipinski's Rule of Five, 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one has 1 hydrogen bond donor(s) and 3 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 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
The CAS number of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one is 478259-81-3.
What is the molecular formula of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
The molecular formula of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one is C13H18N2O3.
What is the molecular weight of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
The molecular weight of 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one is 250.13 g/mol.
Where can I buy 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
You can request a quote for 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.