1-(1H-pyrrol-2-yl)butan-1-one
TL;DR: 1-(1H-pyrrol-2-yl)butan-1-one (CAS 6783-96-6) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-pyrrol-2-yl)butan-1-one
Also Known As: 1-(1H-pyrrol-2-yl)butan-1-one, 2-Butyryl-1H-pyrrole, Propyl(1H-pyrrol-2-yl) ketone, 1-butanone, 1-(1H-pyrrol-2-yl)-, InChI=1/C8H11NO/c1-2-4-8(10)7-5-3-6-9-7/h3,5-6,9H,2,4H2,1H
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 6783-96-6 |
|---|---|
| SMILES | CCCC(=O)C1=CC=CN1 |
| InChIKey | MVNPFTKBEVWVTR-UHFFFAOYSA-N |
Product Overview
1-(1H-pyrrol-2-yl)butan-1-one (CAS 6783-96-6), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: 1-(1H-pyrrol-2-yl)butan-1-one.
Chemical Property Profile of 1-(1H-pyrrol-2-yl)butan-1-one
Property Insights of 1-(1H-pyrrol-2-yl)butan-1-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-pyrrol-2-yl)butan-1-one. With a topological polar surface area (TPSA) of 32.9 Ų, 1-(1H-pyrrol-2-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-pyrrol-2-yl)butan-1-one has 1 hydrogen bond donor(s) and 1 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-(1H-pyrrol-2-yl)butan-1-one?
The CAS number of 1-(1H-pyrrol-2-yl)butan-1-one is 6783-96-6.
What is the molecular formula of 1-(1H-pyrrol-2-yl)butan-1-one?
The molecular formula of 1-(1H-pyrrol-2-yl)butan-1-one is C8H11NO.
What is the molecular weight of 1-(1H-pyrrol-2-yl)butan-1-one?
The molecular weight of 1-(1H-pyrrol-2-yl)butan-1-one is 137.08 g/mol.
Where can I buy 1-(1H-pyrrol-2-yl)butan-1-one?
You can request a quote for 1-(1H-pyrrol-2-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-(1H-pyrrol-2-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-pyrrol-2-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.