Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-
TL;DR: Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- (CAS 167971-77-9) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
Also Known As: 3beta-tert-Butoxypyrrolidin-1-ol, (3S)-3-tert-Butoxypyrrolidin-1-ol, (3S)-3-(tert-butoxy)pyrrolidin-1-ol, Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-, (3S)-1-Hydroxy-3beta-tert-butoxypyrrolidine
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.265 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 130.54398 |
Chemical Identifiers
| CAS Number | 167971-77-9 |
|---|---|
| SMILES | CC(C)(C)O[C@H]1CCN(C1)O |
Product Overview
Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- (CAS 167971-77-9), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: (3S)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]pyrrolidine.
Chemical Property Profile of Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-
Property Insights of Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-
The XLogP value of 1.265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-. With a topological polar surface area (TPSA) of 32.7 Ų, Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- 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
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-?
The CAS number of Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- is 167971-77-9.
What is the molecular formula of Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-?
The molecular formula of Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- is C8H17NO2.
What is the molecular weight of Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-?
The molecular weight of Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- is 159.13 g/mol.
Where can I buy Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-?
You can request a quote for Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 3-(1,1-dimethylethoxy)-1-hydroxy-, (3S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.