1-Benzylpyrrolidin-3-yl methanesulfonate
TL;DR: 1-Benzylpyrrolidin-3-yl methanesulfonate (CAS 118354-71-5) is a chemical compound with molecular formula C12H17NO3S and molecular weight 255.09291 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-benzylpyrrolidin-3-yl) methanesulfonate
Also Known As: 1-benzylpyrrolidin-3-yl methanesulfonate, (1-benzylpyrrolidin-3-yl) methanesulfonate, 1-benzyl-3-methanesulfonyloxyprrolidine, 1-benzylpyrrolidin-3-ylmethanesulfonate, 1-benzyl-3-methylsulfonyloxy-pyrrolidine
Technical Specifications
| Molecular Formula | C12H17NO3S |
| Molecular Weight | 255.09291 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.09291 Da |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
| SMILES | CS(=O)(=O)OC1CCN(C1)CC2=CC=CC=C2 |
| InChIKey | NZIDTDIDEPGKHB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzylpyrrolidin-3-yl methanesulfonate
Property Insights of 1-Benzylpyrrolidin-3-yl methanesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylpyrrolidin-3-yl methanesulfonate. With a topological polar surface area (TPSA) of 55.0 Ų, 1-Benzylpyrrolidin-3-yl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylpyrrolidin-3-yl methanesulfonate has 0 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-Benzylpyrrolidin-3-yl methanesulfonate?
The CAS number of 1-Benzylpyrrolidin-3-yl methanesulfonate is 118354-71-5.
What is the molecular formula of 1-Benzylpyrrolidin-3-yl methanesulfonate?
The molecular formula of 1-Benzylpyrrolidin-3-yl methanesulfonate is C12H17NO3S.
What is the molecular weight of 1-Benzylpyrrolidin-3-yl methanesulfonate?
The molecular weight of 1-Benzylpyrrolidin-3-yl methanesulfonate is 255.09291 g/mol.
Where can I buy 1-Benzylpyrrolidin-3-yl methanesulfonate?
You can request a quote for 1-Benzylpyrrolidin-3-yl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzylpyrrolidin-3-yl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for 1-Benzylpyrrolidin-3-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.