RefChem:336261
TL;DR: RefChem:336261 (CAS 85467-19-2) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.12 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-methylazanium chloride
Also Known As: (Z)-2-((Methylamino)methyl)-1-phenylcyclopropanecarboxylic acid ethyl ester hydrochloride, Cyclopropanecarboxylic acid, 2-((methylamino)methyl)-1-phenyl-, ethyl ester, (Z)-, monohydrochloride, [(1S,2R)-2-Ethoxycarbonyl-2-phenylcyclopropyl]methyl-methylazaniumchloride, [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-methylazanium chloride, CYCLOPROPANECARBOXYLIC ACID, 2-((METHYLAMINO)METHYL)-1-PHENYL-, ETHYL ESTER, (Z)
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 85467-19-2 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1C[NH2+]C)C2=CC=CC=C2.[Cl-] |
| InChIKey | OSJCCQMHVMKXPX-OJMBIDBESA-N |
Product Overview
RefChem:336261 (CAS 85467-19-2), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-methylazanium chloride.
Chemical Property Profile of RefChem:336261
Property Insights of RefChem:336261
The XLogP value of -2.3 indicates that RefChem:336261 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.9 Ų, RefChem:336261 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336261 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:336261?
The CAS number of RefChem:336261 is 85467-19-2.
What is the molecular formula of RefChem:336261?
The molecular formula of RefChem:336261 is C14H20ClNO2.
What is the molecular weight of RefChem:336261?
The molecular weight of RefChem:336261 is 269.12 g/mol.
Where can I buy RefChem:336261?
You can request a quote for RefChem:336261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336261?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.