RefChem:336260
TL;DR: RefChem:336260 (CAS 85467-54-5) is a chemical compound with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-methyl-(2-phenylethyl)azanium chloride
Also Known As: Cyclopropanecarboxylic acid, 2-((methyl(2-phenylethyl)amino)methyl)-1-phenyl-, ethyl ester, hydrochloride, cis-, [(1S,2R)-2-Ethoxycarbonyl-2-phenylcyclopropyl]methyl-methyl-phenethylazaniumchloride, [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-methyl-phenethylazanium chloride, CYCLOPROPANECARBOXYLIC ACID, 2-((METHYL(2-PHENYLETHYL)AMINO)METHYL)-1-PHENYL-, E, RefChem:336260
| Molecular Formula | C22H28ClNO2 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | -0.73 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.18085 |
| Heavy Atoms | 26 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 85467-54-5 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1C[NH+](C)CCC2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | OVGABYAKJODJRE-LBPAWUGGSA-N |
Product Overview
RefChem:336260 (CAS 85467-54-5), with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol. IUPAC: [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-methyl-(2-phenylethyl)azanium chloride.
Chemical Property Profile of RefChem:336260
Property Insights of RefChem:336260
The XLogP value of -0.73 indicates that RefChem:336260 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:336260 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336260 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
Frequently Asked Questions
What is the CAS number of RefChem:336260?
The CAS number of RefChem:336260 is 85467-54-5.
What is the molecular formula of RefChem:336260?
The molecular formula of RefChem:336260 is C22H28ClNO2.
What is the molecular weight of RefChem:336260?
The molecular weight of RefChem:336260 is 373.18 g/mol.
Where can I buy RefChem:336260?
You can request a quote for RefChem:336260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336260?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.