Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate
TL;DR: Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate (CAS 100908-72-3) is a chemical compound with molecular formula C23H25Cl2NO2 and molecular weight 417.13 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)-3-(4-chlorophenyl)-2-phenylprop-2-enoate chloride
Also Known As: p-Chloro-alpha-phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate, CINNAMIC ACID, p-CHLORO-alpha-PHENYL-, 3-TROPANYL ESTER, HYDROCHLORIDE, HYDRATE, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoate chloride, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoate,chloride, RefChem:1081840
| Molecular Formula | C23H25Cl2NO2 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 0.6359 |
| Topological Polar Surface Area | 30.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.12622 |
| Heavy Atoms | 28 |
| Complexity | 821.4407 |
Chemical Identifiers
| CAS Number | 100908-72-3 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C4=CC=CC=C4.[Cl-] |
Product Overview
Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate (CAS 100908-72-3), with molecular formula C23H25Cl2NO2 and molecular weight 417.13 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoate chloride.
Chemical Property Profile of Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate
Property Insights of Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate
The XLogP value of 0.6359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate. With a topological polar surface area (TPSA) of 30.74 Ų, Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate has 1 hydrogen bond donor(s) and 2 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, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate?
The CAS number of Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate is 100908-72-3.
What is the molecular formula of Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate?
The molecular formula of Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate is C23H25Cl2NO2.
What is the molecular weight of Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate?
The molecular weight of Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate is 417.13 g/mol.
Where can I buy Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate?
You can request a quote for Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Cinnamic acid, p-chloro-alpha-phenyl-, 3-tropanyl ester, hydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.