Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride
TL;DR: Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride (CAS 36173-66-7) is a chemical compound with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride
Also Known As: Spasmo-Inalgon, Tropine benzilate HCl, Tropine benzylate HCI, Tropine benzylate hydrochloride, Tropine benzilate hydrochloride
| Molecular Formula | C22H26ClNO3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 3.5127 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.16013 |
| Heavy Atoms | 27 |
| Complexity | 714.1421 |
Chemical Identifiers
| CAS Number | 36173-66-7 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl |
Product Overview
Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride (CAS 36173-66-7), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride
Property Insights of Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride
The XLogP value of 3.5127 indicates that Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride has 1 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 Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride?
The CAS number of Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride is 36173-66-7.
What is the molecular formula of Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride?
The molecular formula of Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride is C22H26ClNO3.
What is the molecular weight of Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride?
The molecular weight of Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride is 387.16 g/mol.
Where can I buy Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride?
You can request a quote for Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Exo-8-methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.