1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)
TL;DR: 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) (CAS 3736-36-5) is a chemical compound with molecular formula C22H25NO3 and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: Tropinbenzilat, Tropine benzylate, Glipin, Glypin, Tropine benzilate
| Molecular Formula | C22H25NO3 |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.18344 |
| Heavy Atoms | 26 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 3736-36-5 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | XXVZGWNHSCGMCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) (CAS 3736-36-5), with molecular formula C22H25NO3 and molecular weight 351.18 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)
Property Insights of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)
The XLogP value of 3.9 indicates that 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) 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 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)?
The CAS number of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) is 3736-36-5.
What is the molecular formula of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)?
The molecular formula of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) is C22H25NO3.
What is the molecular weight of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)?
The molecular weight of 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) is 351.18 g/mol.
Where can I buy 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)?
You can request a quote for 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.