3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione
TL;DR: 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione (CAS 63053-27-0) 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.
3-[[4-(dimethylamino)phenyl]methylidene]pentane-2,4-dione
Also Known As: GQOXDIKQLKIPPC-UHFFFAOYSA-, J2.676.199I, 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione, 3-[[4-(dimethylamino)phenyl]methylidene]pentane-2,4-dione, 3-[4-(Dimethylamino)benzylidene]pentane-2,4-dione
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 63053-27-0 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=C(C=C1)N(C)C)C(=O)C |
| InChIKey | GQOXDIKQLKIPPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione (CAS 63053-27-0), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: 3-[[4-(dimethylamino)phenyl]methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione
Property Insights of 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione. With a topological polar surface area (TPSA) of 37.4 Ų, 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione has 0 hydrogen bond donor(s) and 3 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-(4-(Dimethylamino)benzylidene)-2,4-pentanedione?
The CAS number of 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione is 63053-27-0.
What is the molecular formula of 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione?
The molecular formula of 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione is C14H17NO2.
What is the molecular weight of 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione?
The molecular weight of 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione is 231.13 g/mol.
Where can I buy 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione?
You can request a quote for 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.