4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one
TL;DR: 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one (CAS 892148-77-5) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one
Also Known As: 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one, (E)-4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one, (3E)-4-(2,5-dimethyl-1H-pyrrol-3-yl)-3-buten-2-one
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 2.23374 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 320.57962 |
Chemical Identifiers
| CAS Number | 892148-77-5 |
|---|---|
| SMILES | CC1=CC(=C(N1)C)/C=C/C(=O)C |
Product Overview
4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one (CAS 892148-77-5), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: (E)-4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one.
Chemical Property Profile of 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one
Property Insights of 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one
The XLogP value of 2.23374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one. With a topological polar surface area (TPSA) of 32.86 Ų, 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-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 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one?
The CAS number of 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one is 892148-77-5.
What is the molecular formula of 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one?
The molecular formula of 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one is C10H13NO.
What is the molecular weight of 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one?
The molecular weight of 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one is 163.10 g/mol.
Where can I buy 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one?
You can request a quote for 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethyl-1H-pyrrol-3-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.