![(3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate structure](/static/products/2679/2679949-72-3.webp)
(3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate
TL;DR: (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate (CAS 2679949-72-3) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-methylbenzenesulfonate
Also Known As: NCIStruc1_001415, NCIStruc2_001198, (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate, p-Toluenesulfonic acid, 3-quinuclidyl ester hydrochloride, [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-methylbenzenesulfonate
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 1.79452 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 544.5587 |
Chemical Identifiers
| CAS Number | 2679949-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CN3CCC2CC3 |
Product Overview
(3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate (CAS 2679949-72-3), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate
Property Insights of (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate
The XLogP value of 1.79452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate. With a topological polar surface area (TPSA) of 46.61 Ų, (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate 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 (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate?
The CAS number of (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate is 2679949-72-3.
What is the molecular formula of (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate?
The molecular formula of (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate is C14H19NO3S.
What is the molecular weight of (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate?
The molecular weight of (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate is 281.11 g/mol.
Where can I buy (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate?
You can request a quote for (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (3R)-1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.