RefChem:336255
TL;DR: RefChem:336255 (CAS 85467-80-7) is a chemical compound with molecular formula C15H21ClFNO2 and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R)-2-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropyl]methyl-dimethylazanium chloride
Also Known As: Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-(p-fluorophenyl)-, ethyl ester, (Z)-, monohydrochloride, (Z)-2-((Dimethylamino)methyl)-1-(p-fluorophenyl)cyclopropanecarboxylic acid ethyl ester HCl, [(1S,2R)-2-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropyl]methyl-dimethylazanium chloride, CYCLOPROPANECARBOXYLIC ACID, 2-((DIMETHYLAMINO)METHYL)-1-(p-FLUOROPHENYL)-, ETHY, RefChem:336255
| Molecular Formula | C15H21ClFNO2 |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.12448 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 85467-80-7 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1C[NH+](C)C)C2=CC=C(C=C2)F.[Cl-] |
| InChIKey | YALUDWVQPQYYRS-YLCXCWDSSA-N |
Product Overview
RefChem:336255 (CAS 85467-80-7), with molecular formula C15H21ClFNO2 and molecular weight 301.12 g/mol. IUPAC: [(1S,2R)-2-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropyl]methyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:336255
Property Insights of RefChem:336255
The XLogP value of -2.2 indicates that RefChem:336255 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:336255 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336255 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 RefChem:336255?
The CAS number of RefChem:336255 is 85467-80-7.
What is the molecular formula of RefChem:336255?
The molecular formula of RefChem:336255 is C15H21ClFNO2.
What is the molecular weight of RefChem:336255?
The molecular weight of RefChem:336255 is 301.12 g/mol.
Where can I buy RefChem:336255?
You can request a quote for RefChem:336255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336255?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.