Methanone, di-1H-pyrrol-2-yl-
TL;DR: Methanone, di-1H-pyrrol-2-yl- (CAS 54582-33-1) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
di(pyrrol-1-yl)methanone
Also Known As: Dipyrrol-2-yl ketone, Di(1H-pyrrol-1-yl)methanone, N,N'-carbonylbisazole, Di-1H-pyrrol-2-yl ketone, Ketone, di-1H-2-pyrrolyl
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 54582-33-1 |
|---|---|
| SMILES | C1=CN(C=C1)C(=O)N2C=CC=C2 |
| InChIKey | AVDNGGJZZVTQNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methanone, di-1H-pyrrol-2-yl- (CAS 54582-33-1), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: di(pyrrol-1-yl)methanone.
Chemical Property Profile of Methanone, di-1H-pyrrol-2-yl-
Property Insights of Methanone, di-1H-pyrrol-2-yl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, di-1H-pyrrol-2-yl-. With a topological polar surface area (TPSA) of 26.9 Ų, Methanone, di-1H-pyrrol-2-yl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, di-1H-pyrrol-2-yl- has 0 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 Methanone, di-1H-pyrrol-2-yl-?
The CAS number of Methanone, di-1H-pyrrol-2-yl- is 54582-33-1.
What is the molecular formula of Methanone, di-1H-pyrrol-2-yl-?
The molecular formula of Methanone, di-1H-pyrrol-2-yl- is C9H8N2O.
What is the molecular weight of Methanone, di-1H-pyrrol-2-yl-?
The molecular weight of Methanone, di-1H-pyrrol-2-yl- is 160.06 g/mol.
Where can I buy Methanone, di-1H-pyrrol-2-yl-?
You can request a quote for Methanone, di-1H-pyrrol-2-yl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, di-1H-pyrrol-2-yl-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, di-1H-pyrrol-2-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.