3-(2'-氨基二苯甲酰氧基)托烷
TL;DR: 3-(2'-氨基二苯甲酰氧基)托烷 (CAS 88097-86-3) is a chemical compound with molecular formula C21H26N2O and molecular weight 322.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2'-氨基二苯甲酰氧基)托烷
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]aniline
Also Known As: Aminobenztropine, ABHT, N-Hydroxy Metaraminol, Aminobenztropine, solid, 3-(2'-Aminobenzhydryloxy)tropane
| Molecular Formula | C21H26N2O |
|---|---|
| Molecular Weight | 322.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.2045 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
| Solubility | >48.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 88097-86-3 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4N |
| InChIKey | KZFDKINRISJFCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2'-氨基二苯甲酰氧基)托烷 (CAS 88097-86-3), with molecular formula C21H26N2O and molecular weight 322.20 g/mol. IUPAC: 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy-phenylmethyl]aniline.
Chemical Property Profile of 3-(2'-氨基二苯甲酰氧基)托烷
Property Insights of 3-(2'-氨基二苯甲酰氧基)托烷
The XLogP value of 3.8 indicates that 3-(2'-氨基二苯甲酰氧基)托烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.5 Ų, 3-(2'-氨基二苯甲酰氧基)托烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2'-氨基二苯甲酰氧基)托烷 has 1 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 3-(2'-氨基二苯甲酰氧基)托烷?
The CAS number of 3-(2'-氨基二苯甲酰氧基)托烷 is 88097-86-3.
What is the molecular formula of 3-(2'-氨基二苯甲酰氧基)托烷?
The molecular formula of 3-(2'-氨基二苯甲酰氧基)托烷 is C21H26N2O.
What is the molecular weight of 3-(2'-氨基二苯甲酰氧基)托烷?
The molecular weight of 3-(2'-氨基二苯甲酰氧基)托烷 is 322.20 g/mol.
Where can I buy 3-(2'-氨基二苯甲酰氧基)托烷?
You can request a quote for 3-(2'-氨基二苯甲酰氧基)托烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2'-氨基二苯甲酰氧基)托烷?
Yes, KEHONG BIO provides custom synthesis services for 3-(2'-氨基二苯甲酰氧基)托烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.