4-(Dimethylamino)-1-phenylbutan-1-one
TL;DR: 4-(Dimethylamino)-1-phenylbutan-1-one (CAS 3760-63-2) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-1-phenylbutan-1-one
Also Known As: 4-(dimethylamino)-1-phenylbutan-1-one, 1-Butanone, 4-(dimethylamino)-1-phenyl-, Butyrophenone, 4-(dimethylamino)-, .gamma.-Dimethylaminobutyrophenone, 4-Dimethylamino-1-phenyl-1-butanone
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 3760-63-2 |
|---|---|
| SMILES | CN(C)CCCC(=O)C1=CC=CC=C1 |
| InChIKey | BGDALPKATCCTCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dimethylamino)-1-phenylbutan-1-one (CAS 3760-63-2), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 4-(dimethylamino)-1-phenylbutan-1-one.
Chemical Property Profile of 4-(Dimethylamino)-1-phenylbutan-1-one
Property Insights of 4-(Dimethylamino)-1-phenylbutan-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylamino)-1-phenylbutan-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 4-(Dimethylamino)-1-phenylbutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-1-phenylbutan-1-one 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 4-(Dimethylamino)-1-phenylbutan-1-one?
The CAS number of 4-(Dimethylamino)-1-phenylbutan-1-one is 3760-63-2.
What is the molecular formula of 4-(Dimethylamino)-1-phenylbutan-1-one?
The molecular formula of 4-(Dimethylamino)-1-phenylbutan-1-one is C12H17NO.
What is the molecular weight of 4-(Dimethylamino)-1-phenylbutan-1-one?
The molecular weight of 4-(Dimethylamino)-1-phenylbutan-1-one is 191.13 g/mol.
Where can I buy 4-(Dimethylamino)-1-phenylbutan-1-one?
You can request a quote for 4-(Dimethylamino)-1-phenylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-1-phenylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-1-phenylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.