RefChem:336231
TL;DR: RefChem:336231 (CAS 85467-68-1) is a chemical compound with molecular formula C15H21Cl2NO2 and molecular weight 317.09494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R)-2-(4-chlorophenyl)-2-ethoxycarbonylcyclopropyl]methyl-dimethylazanium chloride
Also Known As: Cyclopropanecarboxylic acid, 1-(p-chlorophenyl)-2-((dimethylamino)methyl)-, ethyl ester, (Z)-, monohydrochloride, (Z)-1-(p-Chlorophenyl)-2-((dimethylamino)methyl)cyclopropanecarboxylic acid ethyl ester HCl, [(1S,2R)-2-(4-chlorophenyl)-2-ethoxycarbonylcyclopropyl]methyl-dimethylazanium chloride, CYCLOPROPANECARBOXYLIC ACID, 1-(p-CHLOROPHENYL)-2-((DIMETHYLAMINO)METHYL)-, ETHY
Technical Specifications
| Molecular Formula | C15H21Cl2NO2 |
| Molecular Weight | 317.09494 g/mol |
| XLogP | -1.69 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.09494 Da |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1C[NH+](C)C)C2=CC=C(C=C2)Cl.[Cl-] |
| InChIKey | AEVJDZFTXCBMHZ-YLCXCWDSSA-N |
Chemical Property Profile of RefChem:336231
Property Insights of RefChem:336231
The XLogP value of -1.69 indicates that RefChem:336231 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:336231 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336231 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
What is the CAS number of RefChem:336231?
The CAS number of RefChem:336231 is 85467-68-1.
What is the molecular formula of RefChem:336231?
The molecular formula of RefChem:336231 is C15H21Cl2NO2.
What is the molecular weight of RefChem:336231?
The molecular weight of RefChem:336231 is 317.09494 g/mol.
Where can I buy RefChem:336231?
You can request a quote for RefChem:336231 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:336231?
Yes, CoreyChem provides custom synthesis services for RefChem:336231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.