1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)
TL;DR: 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) (CAS 63547-61-5) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-1H-pyrrol-2-yl)ethanone
Also Known As: Ethanone,1,1- bis-, 2,4-Diacetyl-1H-pyrrole, 2,4-Bisacetyl-1H-pyrrole, 1,1'-(1H-pyrrole-2,4-diyl)diethanone, 1-(5-acetyl-1H-pyrrol-3-yl)ethanone
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.4199 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 270.29562 |
Chemical Identifiers
| CAS Number | 63547-61-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=CN1)C(=O)C |
Product Overview
1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) (CAS 63547-61-5), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 1-(4-acetyl-1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)
Property Insights of 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)
The XLogP value of 1.4199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one). With a topological polar surface area (TPSA) of 49.93 Ų, 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) has 1 hydrogen bond donor(s) and 2 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 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)?
The CAS number of 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) is 63547-61-5.
What is the molecular formula of 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)?
The molecular formula of 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) is C8H9NO2.
What is the molecular weight of 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)?
The molecular weight of 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) is 151.06 g/mol.
Where can I buy 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)?
You can request a quote for 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.