Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride
TL;DR: Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride (CAS 67210-46-2) is a chemical compound with molecular formula C25H28ClNO4 and molecular weight 441.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-acetyloxyphenyl)-3-phenylprop-2-enoate chloride
Also Known As: alpha(p-Acetoxyphenyl)cinnamic acid 3-tropanyl ester hydrochloride, CINNAMIC ACID, alpha-(p-ACETOXYPHENYL)-, 3-TROPANYL ESTER, HYDROCHLORIDE, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-acetyloxyphenyl)-3-phenylprop-2-enoate chloride, Benzeneacetic acid, 4-(acetyloxy)-.alpha.-(phenylmethylene)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, RefChem:1081793
| Molecular Formula | C25H28ClNO4 |
|---|---|
| Molecular Weight | 441.17 g/mol |
| LogP | -0.0922 |
| Topological Polar Surface Area | 57.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.1707 |
| Heavy Atoms | 31 |
| Complexity | 927.75415 |
Chemical Identifiers
| CAS Number | 67210-46-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)/C(=C\C2=CC=CC=C2)/C(=O)OC3CC4CCC(C3)[NH+]4C.[Cl-] |
Product Overview
Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride (CAS 67210-46-2), with molecular formula C25H28ClNO4 and molecular weight 441.17 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-acetyloxyphenyl)-3-phenylprop-2-enoate chloride.
Chemical Property Profile of Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride
Property Insights of Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride
The XLogP value of -0.0922 indicates that Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.04 Ų, Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, 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 Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride?
The CAS number of Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride is 67210-46-2.
What is the molecular formula of Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride?
The molecular formula of Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride is C25H28ClNO4.
What is the molecular weight of Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride?
The molecular weight of Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride is 441.17 g/mol.
Where can I buy Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride?
You can request a quote for Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cinnamic acid, alpha-(p-acetoxyphenyl)-, 3-tropanyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.