3-Tropanyl p-tolylacetate, hydrochloride
TL;DR: 3-Tropanyl p-tolylacetate, hydrochloride (CAS 2247-45-2) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-methylphenyl)acetate;hydrochloride
Also Known As: 3-Tropanyl p-tolylacetate, hydrochloride, 3-Tropine p-tolylacetate, hydrochloride, psi-Tropine p-tolylacetate hydrochloride, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, p-tolylacetate (ester), hydrochloride, 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, p-tolylacetate (ester), hydrochloride
| Molecular Formula | C17H24ClNO2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 3.13 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.14957 |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 2247-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(=O)OC2C[C@H]3CC[C@@H](C2)N3C.Cl |
| InChIKey | XCFIZMVCZBZSST-JXMYBXCISA-N |
Product Overview
3-Tropanyl p-tolylacetate, hydrochloride (CAS 2247-45-2), with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol. IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(4-methylphenyl)acetate;hydrochloride.
Chemical Property Profile of 3-Tropanyl p-tolylacetate, hydrochloride
Property Insights of 3-Tropanyl p-tolylacetate, hydrochloride
The XLogP value of 3.13 indicates that 3-Tropanyl p-tolylacetate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Tropanyl p-tolylacetate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tropanyl p-tolylacetate, hydrochloride 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-Tropanyl p-tolylacetate, hydrochloride?
The CAS number of 3-Tropanyl p-tolylacetate, hydrochloride is 2247-45-2.
What is the molecular formula of 3-Tropanyl p-tolylacetate, hydrochloride?
The molecular formula of 3-Tropanyl p-tolylacetate, hydrochloride is C17H24ClNO2.
What is the molecular weight of 3-Tropanyl p-tolylacetate, hydrochloride?
The molecular weight of 3-Tropanyl p-tolylacetate, hydrochloride is 309.15 g/mol.
Where can I buy 3-Tropanyl p-tolylacetate, hydrochloride?
You can request a quote for 3-Tropanyl p-tolylacetate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tropanyl p-tolylacetate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Tropanyl p-tolylacetate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.