8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1)
TL;DR: 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) (CAS 3087-02-3) is a chemical compound with molecular formula C16H22ClNO2 and molecular weight 295.13 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-phenylacetate;hydrochloride
Also Known As: Tropine phenylacetate HCl, Tropine phenylacetate hydrochloride, psi-Tropine phenylacetate HCl, psi-Tropine phenylacetate hydrochloride, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, phenylacetate, hydrochloride
| Molecular Formula | C16H22ClNO2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 2.8193 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1339 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 3087-02-3 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC3=CC=CC=C3.Cl |
| InChIKey | IFNUPGBWWRYLQZ-UHFFFAOYSA-N |
Product Overview
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) (CAS 3087-02-3), with molecular formula C16H22ClNO2 and molecular weight 295.13 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylacetate;hydrochloride.
Chemical Property Profile of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1)
Property Insights of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1)
The XLogP value of 2.8193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 29.5 Ų, 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) 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 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1)?
The CAS number of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) is 3087-02-3.
What is the molecular formula of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1)?
The molecular formula of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) is C16H22ClNO2.
What is the molecular weight of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1)?
The molecular weight of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) is 295.13 g/mol.
Where can I buy 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1)?
You can request a quote for 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl phenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.