Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-
TL;DR: Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- (CAS 59921-84-5) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-4-pyrrolidin-1-ylbutan-1-one
Also Known As: 4'-Methyl-4-(pyrrolidinyl)butyrophenone, 1-phenyl-4-pyrrolidin-1-ylpentan-1-one, BUTYROPHENONE, 4'-METHYL-4-(1-PYRROLIDINYL)-, 4-METHYL-4-(PYRROLIDINYL)BUTYROPHENONE, 1-(4-Methylphenyl)-4-(pyrrolidin-1-yl)butan-1-one
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 59921-84-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCCN2CCCC2 |
| InChIKey | RZUTUYJHPNNWMF-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- (CAS 59921-84-5), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 1-(4-methylphenyl)-4-pyrrolidin-1-ylbutan-1-one.
Chemical Property Profile of Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-
Property Insights of Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 20.3 Ų, Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- has 0 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 Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-?
The CAS number of Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- is 59921-84-5.
What is the molecular formula of Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-?
The molecular formula of Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- is C15H21NO.
What is the molecular weight of Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-?
The molecular weight of Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- is 231.16 g/mol.
Where can I buy Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-?
You can request a quote for Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-methyl-4-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.