1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-
TL;DR: 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- (CAS 112169-33-2) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-[4-[3-(dimethylamino)propanoyl]phenyl]propan-1-one
Also Known As: 1,4-bis(beta-dimethylaminopropionyl)benzene, 1,4-Bis[3-(dimethylamino)propionyl]benzene, 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-, 1,1'-benzene-1,4-diylbis[3-(dimethylamino)propan-1-one], 1,1'-(1,4-Phenylene)bis[3-(dimethylamino)propan-1-one]
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 112169-33-2 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CC=C(C=C1)C(=O)CCN(C)C |
| InChIKey | XHZSGPPAOYRXKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- (CAS 112169-33-2), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: 3-(dimethylamino)-1-[4-[3-(dimethylamino)propanoyl]phenyl]propan-1-one.
Chemical Property Profile of 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-
Property Insights of 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-. With a topological polar surface area (TPSA) of 40.6 Ų, 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- has 0 hydrogen bond donor(s) and 4 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 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-?
The CAS number of 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- is 112169-33-2.
What is the molecular formula of 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-?
The molecular formula of 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- is C16H24N2O2.
What is the molecular weight of 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-?
The molecular weight of 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- is 276.18 g/mol.
Where can I buy 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-?
You can request a quote for 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1,1'-(1,4-phenylene)bis[3-(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.