Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate
TL;DR: Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate (CAS 100908-75-6) is a chemical compound with molecular formula C23H25ClN2O4 and molecular weight 428.15 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-nitrophenyl)-3-phenylprop-2-enoate chloride
Also Known As: alpha-(p-Nitrophenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate, CINNAMIC ACID, alpha-(p-NITROPHENYL)-, 3-TROPANYL ESTER, HYDROCHLORIDE, HYDRATE, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-nitrophenyl)-3-phenylprop-2-enoate chloride, RefChem:1081805
| Molecular Formula | C23H25ClN2O4 |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | -0.1093 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.1503 |
| Heavy Atoms | 30 |
| Complexity | 915.9791 |
Chemical Identifiers
| CAS Number | 100908-75-6 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)[N+](=O)[O-].[Cl-] |
Product Overview
Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate (CAS 100908-75-6), with molecular formula C23H25ClN2O4 and molecular weight 428.15 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-nitrophenyl)-3-phenylprop-2-enoate chloride.
Chemical Property Profile of Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate
Property Insights of Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate
The XLogP value of -0.1093 indicates that Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate. Following Lipinski's Rule of Five, Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate 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-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate?
The CAS number of Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate is 100908-75-6.
What is the molecular formula of Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate?
The molecular formula of Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate is C23H25ClN2O4.
What is the molecular weight of Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate?
The molecular weight of Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate is 428.15 g/mol.
Where can I buy Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate?
You can request a quote for Cinnamic acid, alpha-(p-nitrophenyl)-, 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, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Cinnamic acid, alpha-(p-nitrophenyl)-, 3-tropanyl ester, hydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.