RefChem:1081778
TL;DR: RefChem:1081778 (CAS 100908-74-5) is a chemical compound with molecular formula C27H36Cl2N2O2 and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]-(2-methylpropyl)azanium dichloride
Also Known As: alpha-(m-Isobutylaminophenyl)cinnamic acid 3-tropanyl ester dihydrochloride hydrate, Cinnamic acid, alpha-(m-isobutylaminophenyl)-, 3-tropanyl ester, dihydrochloride, hydrate, [3-[(E)-3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]-(2-methylpropyl)azanium dichloride, [3-[(E)-3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]-(2-methylpropyl)azanium,dichloride, RefChem:1081778
| Molecular Formula | C27H36Cl2N2O2 |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | -3.1626 |
| Topological Polar Surface Area | 47.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.2154 |
| Heavy Atoms | 33 |
| Complexity | 918.7284 |
Chemical Identifiers
| CAS Number | 100908-74-5 |
|---|---|
| SMILES | CC(C)C[NH2+]C1=CC=CC(=C1)/C(=C\C2=CC=CC=C2)/C(=O)OC3CC4CCC(C3)[NH+]4C.[Cl-].[Cl-] |
Product Overview
RefChem:1081778 (CAS 100908-74-5), with molecular formula C27H36Cl2N2O2 and molecular weight 490.22 g/mol. IUPAC: [3-[(E)-3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]-(2-methylpropyl)azanium dichloride.
Chemical Property Profile of RefChem:1081778
Property Insights of RefChem:1081778
The XLogP value of -3.1626 indicates that RefChem:1081778 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.35 Ų, RefChem:1081778 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081778 has 2 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 RefChem:1081778?
The CAS number of RefChem:1081778 is 100908-74-5.
What is the molecular formula of RefChem:1081778?
The molecular formula of RefChem:1081778 is C27H36Cl2N2O2.
What is the molecular weight of RefChem:1081778?
The molecular weight of RefChem:1081778 is 490.22 g/mol.
Where can I buy RefChem:1081778?
You can request a quote for RefChem:1081778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081778?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.