3-(1-Phenyl-3-butyl)amino-1,2-propanediol
TL;DR: 3-(1-Phenyl-3-butyl)amino-1,2-propanediol (CAS 126008-14-8) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-phenylbutan-2-ylamino)propane-1,2-diol
Also Known As: 3-(4-phenylbutan-2-ylamino)propane-1,2-diol, 3-(1-Phenyl-3-butyl)amino-1,2-propanediol, 3-[(1-methyl-3-phenylpropyl)amino]-1,2-Propanediol
Technical Specifications
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.15723 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 223.15723 Da |
| Heavy Atoms | 16 |
| Complexity | 169.0 |
| SMILES | CC(CCC1=CC=CC=C1)NCC(CO)O |
| InChIKey | CSCRFWXIWSPGFX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Phenyl-3-butyl)amino-1,2-propanediol
Property Insights of 3-(1-Phenyl-3-butyl)amino-1,2-propanediol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Phenyl-3-butyl)amino-1,2-propanediol. With a topological polar surface area (TPSA) of 52.5 Ų, 3-(1-Phenyl-3-butyl)amino-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Phenyl-3-butyl)amino-1,2-propanediol has 3 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 3-(1-Phenyl-3-butyl)amino-1,2-propanediol?
The CAS number of 3-(1-Phenyl-3-butyl)amino-1,2-propanediol is 126008-14-8.
What is the molecular formula of 3-(1-Phenyl-3-butyl)amino-1,2-propanediol?
The molecular formula of 3-(1-Phenyl-3-butyl)amino-1,2-propanediol is C13H21NO2.
What is the molecular weight of 3-(1-Phenyl-3-butyl)amino-1,2-propanediol?
The molecular weight of 3-(1-Phenyl-3-butyl)amino-1,2-propanediol is 223.15723 g/mol.
Where can I buy 3-(1-Phenyl-3-butyl)amino-1,2-propanediol?
You can request a quote for 3-(1-Phenyl-3-butyl)amino-1,2-propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Phenyl-3-butyl)amino-1,2-propanediol?
Yes, CoreyChem provides custom synthesis services for 3-(1-Phenyl-3-butyl)amino-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.