Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate
TL;DR: Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate (CAS 61098-68-8) is a chemical compound with molecular formula C23H27NO5 and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;3-[6-(2-phenylethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
Also Known As: (+-)-3-(6-(2-Phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)phenol, Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate, oxalic acid; 3-(7-phenethyl-7-azabicyclo[3.2.1]octan-5-yl)phenol, Oxalic acid--3-[6-(2-phenylethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol (1/1), RefChem:369146
| Molecular Formula | C23H27NO5 |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 3.2865 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.18893 |
| Heavy Atoms | 29 |
| Complexity | 841.3565 |
Chemical Identifiers
| CAS Number | 61098-68-8 |
|---|---|
| SMILES | C1CC2CC(C1)(CN2CCC3=CC=CC=C3)C4=CC(=CC=C4)O.C(=O)(C(=O)O)O |
Product Overview
Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate (CAS 61098-68-8), with molecular formula C23H27NO5 and molecular weight 397.19 g/mol. IUPAC: oxalic acid;3-[6-(2-phenylethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol.
Chemical Property Profile of Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate
Property Insights of Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate
The XLogP value of 3.2865 indicates that Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate. Following Lipinski's Rule of Five, Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate has 3 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 Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate?
The CAS number of Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate is 61098-68-8.
What is the molecular formula of Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate?
The molecular formula of Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate is C23H27NO5.
What is the molecular weight of Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate?
The molecular weight of Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate is 397.19 g/mol.
Where can I buy Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate?
You can request a quote for Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)-, (+-)-, ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.