2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate
TL;DR: 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate (CAS 63272-88-8) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-2-ylmethylidene)pentane-2,4-dione
Also Known As: 3-(2-Pyridylmethylene)-2,4-pentanedione hydrate, 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate, 3-(2-pyridyl)methylene-2,4-pentanedione, 3-(pyridin-2-ylmethylidene)pentane-2,4-dione, 3-(Pyrid-2-yl)methylene-pentane-2,4-dione
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 63272-88-8 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC=CC=N1)C(=O)C |
| InChIKey | RPPHOMQYXZMNPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate (CAS 63272-88-8), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 3-(pyridin-2-ylmethylidene)pentane-2,4-dione.
Chemical Property Profile of 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate
Property Insights of 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate. With a topological polar surface area (TPSA) of 47.0 Ų, 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate 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 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate?
The CAS number of 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate is 63272-88-8.
What is the molecular formula of 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate?
The molecular formula of 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate is C11H11NO2.
What is the molecular weight of 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate?
The molecular weight of 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate is 189.08 g/mol.
Where can I buy 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate?
You can request a quote for 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 3-(2-pyridylmethylene)-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.