1-Benzylpiperidin-4-yl methanesulfonate
TL;DR: 1-Benzylpiperidin-4-yl methanesulfonate (CAS 90892-59-4) is a chemical compound with molecular formula C13H19NO3S and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzylpiperidin-4-yl) methanesulfonate
Also Known As: 1-benzylpiperidin-4-yl methanesulfonate, 1-benzyl-4-methylsulfonyloxy-piperidine, 1-benzyl-4-piperidinol methanesulfonate, (1-benzylpiperidin-4-yl) methanesulfonate, Methanesulfonic acid 1-benzyl-4-piperidyl ester
| Molecular Formula | C13H19NO3S |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 1.6272 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.10855 |
| Heavy Atoms | 18 |
| Complexity | 464.26953 |
Chemical Identifiers
| CAS Number | 90892-59-4 |
|---|---|
| SMILES | CS(=O)(=O)OC1CCN(CC1)CC2=CC=CC=C2 |
Product Overview
1-Benzylpiperidin-4-yl methanesulfonate (CAS 90892-59-4), with molecular formula C13H19NO3S and molecular weight 269.11 g/mol. IUPAC: (1-benzylpiperidin-4-yl) methanesulfonate.
Chemical Property Profile of 1-Benzylpiperidin-4-yl methanesulfonate
Property Insights of 1-Benzylpiperidin-4-yl methanesulfonate
The XLogP value of 1.6272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylpiperidin-4-yl methanesulfonate. With a topological polar surface area (TPSA) of 46.61 Ų, 1-Benzylpiperidin-4-yl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylpiperidin-4-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
Frequently Asked Questions
What is the CAS number of 1-Benzylpiperidin-4-yl methanesulfonate?
The CAS number of 1-Benzylpiperidin-4-yl methanesulfonate is 90892-59-4.
What is the molecular formula of 1-Benzylpiperidin-4-yl methanesulfonate?
The molecular formula of 1-Benzylpiperidin-4-yl methanesulfonate is C13H19NO3S.
What is the molecular weight of 1-Benzylpiperidin-4-yl methanesulfonate?
The molecular weight of 1-Benzylpiperidin-4-yl methanesulfonate is 269.11 g/mol.
Where can I buy 1-Benzylpiperidin-4-yl methanesulfonate?
You can request a quote for 1-Benzylpiperidin-4-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylpiperidin-4-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylpiperidin-4-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.