3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-
TL;DR: 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- (CAS 62371-09-9) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,4-dimethyl-5-(3-oxobut-1-enyl)-1H-pyrrol-2-yl]but-3-en-2-one
Also Known As: 1,4'-Bipyridinium,1'-methyl-,dichloride, 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-, 4-[3,4-dimethyl-5-(3-oxobut-1-enyl)-1H-pyrrol-2-yl]but-3-en-2-one, 4,4'-(3,4-Dimethyl-1H-pyrrole-2,5-diyl)di(but-3-en-2-one)
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 2.83594 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 460.03705 |
Chemical Identifiers
| CAS Number | 62371-09-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C)C=CC(=O)C)C=CC(=O)C |
Product Overview
3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- (CAS 62371-09-9), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: 4-[3,4-dimethyl-5-(3-oxobut-1-enyl)-1H-pyrrol-2-yl]but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-
Property Insights of 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-
The XLogP value of 2.83594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-. With a topological polar surface area (TPSA) of 49.93 Ų, 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- 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 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-?
The CAS number of 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- is 62371-09-9.
What is the molecular formula of 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-?
The molecular formula of 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- is C14H17NO2.
What is the molecular weight of 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-?
The molecular weight of 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- is 231.13 g/mol.
Where can I buy 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-?
You can request a quote for 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4,4'-(3,4-dimethyl-1H-pyrrole-2,5-diyl)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.