Tropine (o-tolyl)acetate hydrochloride
TL;DR: Tropine (o-tolyl)acetate hydrochloride (CAS 136-66-3) 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.
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(2-methylphenyl)acetate;hydrochloride
Also Known As: Tropine (o-tolyl)acetate HCl, Tropine (o-tolyl)acetate hydrochloride, Acetic acid, o-tolyl-, 3alpha-tropanyl ester, hydrochloride, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, o-tolylacetate, hydrochloride, 1alphaH,5alphaH-Tropan-3alpha-ol, o-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 | 343.0 |
Chemical Identifiers
| CAS Number | 136-66-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CC(=O)OC2C[C@H]3CC[C@@H](C2)N3C.Cl |
| InChIKey | KPGIIXNKYCACDN-JXMYBXCISA-N |
Product Overview
Tropine (o-tolyl)acetate hydrochloride (CAS 136-66-3), with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol. IUPAC: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(2-methylphenyl)acetate;hydrochloride.
Chemical Property Profile of Tropine (o-tolyl)acetate hydrochloride
Property Insights of Tropine (o-tolyl)acetate hydrochloride
The XLogP value of 3.13 indicates that Tropine (o-tolyl)acetate 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, Tropine (o-tolyl)acetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropine (o-tolyl)acetate 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 Tropine (o-tolyl)acetate hydrochloride?
The CAS number of Tropine (o-tolyl)acetate hydrochloride is 136-66-3.
What is the molecular formula of Tropine (o-tolyl)acetate hydrochloride?
The molecular formula of Tropine (o-tolyl)acetate hydrochloride is C17H24ClNO2.
What is the molecular weight of Tropine (o-tolyl)acetate hydrochloride?
The molecular weight of Tropine (o-tolyl)acetate hydrochloride is 309.15 g/mol.
Where can I buy Tropine (o-tolyl)acetate hydrochloride?
You can request a quote for Tropine (o-tolyl)acetate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropine (o-tolyl)acetate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Tropine (o-tolyl)acetate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.