1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-
TL;DR: 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)- (CAS 135420-18-7) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-hydroxy-4-(methylamino)phenyl]pentan-1-one
Also Known As: 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-, 1-(3-Hydroxy-4-(methylamino)phenyl)-1-pentanone, 1-[3-hydroxy-4-(methylamino)phenyl]pentan-1-one, 1-Pentanone,1-[3-hydroxy-4-(methylamino)phenyl]-, BRN 4310750
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| SMILES | CCCCC(=O)C1=CC(=C(C=C1)NC)O |
| InChIKey | RESFMWRDEXLKML-UHFFFAOYSA-N |
Chemical Property Profile of 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-
Property Insights of 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-. With a topological polar surface area (TPSA) of 49.3 Ų, 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-?
The CAS number of 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)- is 135420-18-7.
What is the molecular formula of 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-?
The molecular formula of 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)- is C12H17NO2.
What is the molecular weight of 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-?
The molecular weight of 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)- is 207.12593 g/mol.
Where can I buy 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-?
You can request a quote for 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)-?
Yes, CoreyChem provides custom synthesis services for 1-Pentanone, 1-(3-hydroxy-4-(methylamino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.