1-Boc-3-pyrrolidinol
TL;DR: 1-Boc-3-pyrrolidinol (CAS 10397-13-4) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 3-hydroxypyrrolidine-1-carboxylate
Also Known As: 1-Boc-3-hydroxypyrrolidine, tert-Butyl 3-hydroxypyrrolidine-1-carboxylate, 1-Boc-3-pyrrolidinol, Pyrrolidinol, N-Boc-3-pyrrolidinol
Technical Specifications
| Molecular Formula | C9H17NO3 |
| Molecular Weight | 187.12085 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.12085 Da |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC(C1)O |
| InChIKey | APCBTRDHCDOPNY-UHFFFAOYSA-N |
Chemical Property Profile of 1-Boc-3-pyrrolidinol
Property Insights of 1-Boc-3-pyrrolidinol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Boc-3-pyrrolidinol. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Boc-3-pyrrolidinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Boc-3-pyrrolidinol has 1 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-Boc-3-pyrrolidinol?
The CAS number of 1-Boc-3-pyrrolidinol is 10397-13-4.
What is the molecular formula of 1-Boc-3-pyrrolidinol?
The molecular formula of 1-Boc-3-pyrrolidinol is C9H17NO3.
What is the molecular weight of 1-Boc-3-pyrrolidinol?
The molecular weight of 1-Boc-3-pyrrolidinol is 187.12085 g/mol.
Where can I buy 1-Boc-3-pyrrolidinol?
You can request a quote for 1-Boc-3-pyrrolidinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Boc-3-pyrrolidinol?
Yes, CoreyChem provides custom synthesis services for 1-Boc-3-pyrrolidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.