1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate
TL;DR: 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate (CAS 69766-47-8) is a chemical compound with molecular formula C22H26BrNO2 and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylacetate bromide
Also Known As: Ro 2-3951, Azabicyclooctanol methyl bromide diphenylacetate, 1-AZONIABICYCLO(3.2.1)OCTAN-6-OL, 1-METHYL-, BROMIDE, DIPHENYLACETATE, (1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylacetate bromide, 6-[(Diphenylacetyl)oxy]-1-methyl-1-azabicyclo[3.2.1]octan-1-ium bromide
| Molecular Formula | C22H26BrNO2 |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.1147 |
| Heavy Atoms | 26 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 69766-47-8 |
|---|---|
| SMILES | C[N+]12CCCC(C1)C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
| InChIKey | QLCKKZRFIQOLTD-UHFFFAOYSA-M |
Product Overview
1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate (CAS 69766-47-8), with molecular formula C22H26BrNO2 and molecular weight 415.11 g/mol. IUPAC: (1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylacetate bromide.
Chemical Property Profile of 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate
Property Insights of 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate has 0 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 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate?
The CAS number of 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate is 69766-47-8.
What is the molecular formula of 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate?
The molecular formula of 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate is C22H26BrNO2.
What is the molecular weight of 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate?
The molecular weight of 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate is 415.11 g/mol.
Where can I buy 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate?
You can request a quote for 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.