Butane-1,3-dione, 1-(pyrrol-2-yl)-
TL;DR: Butane-1,3-dione, 1-(pyrrol-2-yl)- (CAS 22441-25-4) 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-(1H-pyrrol-2-yl)butane-1,3-dione
Also Known As: acetoacetyl pyrrole, 1-(2-Pyrrolyl)-1,3-butandion, 1-(1H-pyrrol-2-yl)butane-1,3-dione, 1-(1H-Pyrrol-2-yl)-1,3-butanedione, Butane-1,3-dione, 1-(pyrrol-2-yl)-
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 22441-25-4 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=CN1 |
| InChIKey | BVCVDMNMKHERTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane-1,3-dione, 1-(pyrrol-2-yl)- (CAS 22441-25-4), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 1-(1H-pyrrol-2-yl)butane-1,3-dione.
Chemical Property Profile of Butane-1,3-dione, 1-(pyrrol-2-yl)-
Property Insights of Butane-1,3-dione, 1-(pyrrol-2-yl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,3-dione, 1-(pyrrol-2-yl)-. With a topological polar surface area (TPSA) of 49.9 Ų, Butane-1,3-dione, 1-(pyrrol-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane-1,3-dione, 1-(pyrrol-2-yl)- 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 Butane-1,3-dione, 1-(pyrrol-2-yl)-?
The CAS number of Butane-1,3-dione, 1-(pyrrol-2-yl)- is 22441-25-4.
What is the molecular formula of Butane-1,3-dione, 1-(pyrrol-2-yl)-?
The molecular formula of Butane-1,3-dione, 1-(pyrrol-2-yl)- is C8H9NO2.
What is the molecular weight of Butane-1,3-dione, 1-(pyrrol-2-yl)-?
The molecular weight of Butane-1,3-dione, 1-(pyrrol-2-yl)- is 151.06 g/mol.
Where can I buy Butane-1,3-dione, 1-(pyrrol-2-yl)-?
You can request a quote for Butane-1,3-dione, 1-(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 Butane-1,3-dione, 1-(pyrrol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,3-dione, 1-(pyrrol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.