1-Tert-butylazetidin-3-yl methanesulfonate
TL;DR: 1-Tert-butylazetidin-3-yl methanesulfonate (CAS 46236-54-8) is a chemical compound with molecular formula C8H17NO3S and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-tert-butylazetidin-3-yl) methanesulfonate
Also Known As: 1-tert-butylazetidin-3-yl methanesulfonate, (1-tert-butylazetidin-3-yl) methanesulfonate, 1-tert-Butyl-3-azetidinyl methanesulfonate, 1-tert-butylazetidin-3-ylmethanesulfonate, 1-tert-Butylazetidin-3-ol methanesulfonate
| Molecular Formula | C8H17NO3S |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.09291 |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 46236-54-8 |
|---|---|
| SMILES | CC(C)(C)N1CC(C1)OS(=O)(=O)C |
| InChIKey | RGNVMDVHVBFRPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Tert-butylazetidin-3-yl methanesulfonate (CAS 46236-54-8), with molecular formula C8H17NO3S and molecular weight 207.09 g/mol. IUPAC: (1-tert-butylazetidin-3-yl) methanesulfonate.
Chemical Property Profile of 1-Tert-butylazetidin-3-yl methanesulfonate
Property Insights of 1-Tert-butylazetidin-3-yl methanesulfonate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butylazetidin-3-yl methanesulfonate. With a topological polar surface area (TPSA) of 55.0 Ų, 1-Tert-butylazetidin-3-yl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butylazetidin-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
Frequently Asked Questions
What is the CAS number of 1-Tert-butylazetidin-3-yl methanesulfonate?
The CAS number of 1-Tert-butylazetidin-3-yl methanesulfonate is 46236-54-8.
What is the molecular formula of 1-Tert-butylazetidin-3-yl methanesulfonate?
The molecular formula of 1-Tert-butylazetidin-3-yl methanesulfonate is C8H17NO3S.
What is the molecular weight of 1-Tert-butylazetidin-3-yl methanesulfonate?
The molecular weight of 1-Tert-butylazetidin-3-yl methanesulfonate is 207.09 g/mol.
Where can I buy 1-Tert-butylazetidin-3-yl methanesulfonate?
You can request a quote for 1-Tert-butylazetidin-3-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-Tert-butylazetidin-3-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butylazetidin-3-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.