Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride
TL;DR: Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride (CAS 116534-54-4) is a chemical compound with molecular formula C23H28ClNO2 and molecular weight 385.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(azepan-1-ium-1-yl)-1-phenylethyl] (E)-3-phenylprop-2-enoate chloride
Also Known As: 1H-Azepineethanol, hexahydro-alpha-phenyl-, cinnamate, CINNAMIC ACID, alpha-(HEXAHYDRO-1H-AZEPIN-1-YLMETHYL)BENZYL ESTER, HYDROCHLORIDE, [2-(azepan-1-ium-1-yl)-1-phenylethyl] (E)-3-phenylprop-2-enoate chloride
Technical Specifications
| Molecular Formula | C23H28ClNO2 |
| Molecular Weight | 385.18085 g/mol |
| XLogP | 0.4472 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.18085 Da |
| Heavy Atoms | 27 |
| Complexity | 427.0 |
| SMILES | C1CCC[NH+](CC1)CC(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3.[Cl-] |
| InChIKey | ATLAUKRWMLXXLX-GEEYTBSJSA-N |
Chemical Property Profile of Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride
Property Insights of Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride
The XLogP value of 0.4472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride. With a topological polar surface area (TPSA) of 30.7 Ų, Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, 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
What is the CAS number of Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride?
The CAS number of Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride is 116534-54-4.
What is the molecular formula of Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride?
The molecular formula of Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride is C23H28ClNO2.
What is the molecular weight of Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride?
The molecular weight of Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride is 385.18085 g/mol.
Where can I buy Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride?
You can request a quote for Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Cinnamic acid, alpha-(hexahydro-1H-azepin-1-ylmethyl)benzyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.