1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
TL;DR: 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol (CAS 126405-32-1) is a chemical compound with molecular formula C9H19NO3 and molecular weight 189.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
Also Known As: 3,4-Pyrrolidinediol, 1-butyl-2-(hydroxymethyl)-, (2S,3S,4S)-
Technical Specifications
| Molecular Formula | C9H19NO3 |
| Molecular Weight | 189.13649 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 63.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.13649 Da |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
| SMILES | CCCCN1CC(C(C1CO)O)O |
| InChIKey | AORXTDSJOOFVRB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
Property Insights of 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol. Following Lipinski's Rule of Five, 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol has 3 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 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The CAS number of 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol is 126405-32-1.
What is the molecular formula of 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The molecular formula of 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol is C9H19NO3.
What is the molecular weight of 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol?
The molecular weight of 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol is 189.13649 g/mol.
Where can I buy 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol?
You can request a quote for 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.