RefChem:1081794
TL;DR: RefChem:1081794 (CAS 100908-71-2) is a chemical compound with molecular formula C23H27ClN2O2 and molecular weight 398.18 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-aminophenyl)-3-phenylprop-2-enoate chloride
Also Known As: C23H26N2O2.ClH.5/4H2O, C23-H26-N2-O2.Cl-H.5/4H2-O, alpha-(p-Aminophenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate (4:5), Cinnamic acid, alpha-(p-aminophenyl)-, 3-tropanyl ester, hydrochloride, hydrate (4:5), (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-aminophenyl)-3-phenylprop-2-enoate chloride
| Molecular Formula | C23H27ClN2O2 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | -0.4353 |
| Topological Polar Surface Area | 56.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.17612 |
| Heavy Atoms | 28 |
| Complexity | 821.4407 |
Chemical Identifiers
| CAS Number | 100908-71-2 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)N.[Cl-] |
Product Overview
RefChem:1081794 (CAS 100908-71-2), with molecular formula C23H27ClN2O2 and molecular weight 398.18 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-aminophenyl)-3-phenylprop-2-enoate chloride.
Chemical Property Profile of RefChem:1081794
Property Insights of RefChem:1081794
The XLogP value of -0.4353 indicates that RefChem:1081794 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.76 Ų, RefChem:1081794 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081794 has 2 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 RefChem:1081794?
The CAS number of RefChem:1081794 is 100908-71-2.
What is the molecular formula of RefChem:1081794?
The molecular formula of RefChem:1081794 is C23H27ClN2O2.
What is the molecular weight of RefChem:1081794?
The molecular weight of RefChem:1081794 is 398.18 g/mol.
Where can I buy RefChem:1081794?
You can request a quote for RefChem:1081794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081794?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.