Butyrophenone, 4'-chloro-4-(pyrrolidinyl)-
TL;DR: Butyrophenone, 4'-chloro-4-(pyrrolidinyl)- (CAS 2895-68-3) is a chemical compound with molecular formula C14H18ClNO and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-one
Also Known As: 4'-Chloro-4-(1-pyrrolidinyl)butyrophenone, BUTYROPHENONE, 4'-CHLORO-4-(PYRROLIDINYL)-, 1-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-one, 1-(4-CHLOROPHENYL)-4-(PYRROLIDIN-1-YL)BUTAN-1-ONE, 4 -Chloro-gamma-(1-pyrrolidinyl)butyrophenone
| Molecular Formula | C14H18ClNO |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.1077 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 2895-68-3 |
|---|---|
| SMILES | C1CCN(C1)CCCC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | VPTUKCWZIASSEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyrophenone, 4'-chloro-4-(pyrrolidinyl)- (CAS 2895-68-3), with molecular formula C14H18ClNO and molecular weight 251.11 g/mol. IUPAC: 1-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-one.
Chemical Property Profile of Butyrophenone, 4'-chloro-4-(pyrrolidinyl)-
Property Insights of Butyrophenone, 4'-chloro-4-(pyrrolidinyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone, 4'-chloro-4-(pyrrolidinyl)-. With a topological polar surface area (TPSA) of 20.3 Ų, Butyrophenone, 4'-chloro-4-(pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-chloro-4-(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'-chloro-4-(pyrrolidinyl)-?
The CAS number of Butyrophenone, 4'-chloro-4-(pyrrolidinyl)- is 2895-68-3.
What is the molecular formula of Butyrophenone, 4'-chloro-4-(pyrrolidinyl)-?
The molecular formula of Butyrophenone, 4'-chloro-4-(pyrrolidinyl)- is C14H18ClNO.
What is the molecular weight of Butyrophenone, 4'-chloro-4-(pyrrolidinyl)-?
The molecular weight of Butyrophenone, 4'-chloro-4-(pyrrolidinyl)- is 251.11 g/mol.
Where can I buy Butyrophenone, 4'-chloro-4-(pyrrolidinyl)-?
You can request a quote for Butyrophenone, 4'-chloro-4-(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'-chloro-4-(pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-chloro-4-(pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.