4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol
TL;DR: 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol (CAS 108873-53-6) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-hydroxy-2-(pentylamino)ethyl]benzene-1,2-diol
Also Known As: Butyladrenalin, N-Butylepinephrine, Adrenaline Impurity 76, Epinephrine Impurity 92, WIN 5596
Technical Specifications
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.15215 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.15215 Da |
| Heavy Atoms | 17 |
| Complexity | 201.0 |
| SMILES | CCCCCNCC(C1=CC(=C(C=C1)O)O)O |
| InChIKey | VBEZGGRFZLEUGX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol
Property Insights of 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol. Following Lipinski's Rule of Five, 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol?
The CAS number of 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol is 108873-53-6.
What is the molecular formula of 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol?
The molecular formula of 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol is C13H21NO3.
What is the molecular weight of 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol?
The molecular weight of 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol is 239.15215 g/mol.
Where can I buy 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol?
You can request a quote for 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol?
Yes, CoreyChem provides custom synthesis services for 4-(1-Hydroxy-2-(pentylamino)ethyl)benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.