Pyrrole, 2,4-diacetyl-3,5-dimethyl-
TL;DR: Pyrrole, 2,4-diacetyl-3,5-dimethyl- (CAS 1500-92-1) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
Also Known As: 1,1'-(3,5-dimethyl-1H-pyrrole-2,4-diyl)diethanone, 2,4-Diacetyl-3,5-dimethyl-pyrrole, Pyrrole, 2,4-diacetyl-3,5-dimethyl-, 1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone, 2,4-diacetyl-3,5-dimethylpyrrole
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 1500-92-1 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)C |
| InChIKey | QQDLJFDTROVUDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrole, 2,4-diacetyl-3,5-dimethyl- (CAS 1500-92-1), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 1-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)ethanone.
Chemical Property Profile of Pyrrole, 2,4-diacetyl-3,5-dimethyl-
Property Insights of Pyrrole, 2,4-diacetyl-3,5-dimethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole, 2,4-diacetyl-3,5-dimethyl-. With a topological polar surface area (TPSA) of 49.9 Ų, Pyrrole, 2,4-diacetyl-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrole, 2,4-diacetyl-3,5-dimethyl- 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 Pyrrole, 2,4-diacetyl-3,5-dimethyl-?
The CAS number of Pyrrole, 2,4-diacetyl-3,5-dimethyl- is 1500-92-1.
What is the molecular formula of Pyrrole, 2,4-diacetyl-3,5-dimethyl-?
The molecular formula of Pyrrole, 2,4-diacetyl-3,5-dimethyl- is C10H13NO2.
What is the molecular weight of Pyrrole, 2,4-diacetyl-3,5-dimethyl-?
The molecular weight of Pyrrole, 2,4-diacetyl-3,5-dimethyl- is 179.09 g/mol.
Where can I buy Pyrrole, 2,4-diacetyl-3,5-dimethyl-?
You can request a quote for Pyrrole, 2,4-diacetyl-3,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole, 2,4-diacetyl-3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole, 2,4-diacetyl-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.