RefChem:336259
TL;DR: RefChem:336259 (CAS 85467-58-9) 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-methoxycarbonyl-2-phenylcyclopropyl]methyl-dimethylazanium chloride
Also Known As: (Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid methyl ester hydrochloride, Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, methyl ester, (Z)-, monohydrochloride, [(1S,2R)-2-Methoxycarbonyl-2-phenylcyclopropyl]methyl-dimethylazaniumchloride, [(1S,2R)-2-methoxycarbonyl-2-phenylcyclopropyl]methyl-dimethylazanium chloride, CYCLOPROPANECARBOXYLIC ACID, 2-((DIMETHYLAMINO)METHYL)-1-PHENYL-, METHYL ESTER,
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | -2.73 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 85467-58-9 |
|---|---|
| SMILES | C[NH+](C)C[C@H]1C[C@@]1(C2=CC=CC=C2)C(=O)OC.[Cl-] |
| InChIKey | OKXPSPGUYPUREQ-OJMBIDBESA-N |
Product Overview
RefChem:336259 (CAS 85467-58-9), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: [(1S,2R)-2-methoxycarbonyl-2-phenylcyclopropyl]methyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:336259
Property Insights of RefChem:336259
The XLogP value of -2.73 indicates that RefChem:336259 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:336259 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336259 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:336259?
The CAS number of RefChem:336259 is 85467-58-9.
What is the molecular formula of RefChem:336259?
The molecular formula of RefChem:336259 is C14H20ClNO2.
What is the molecular weight of RefChem:336259?
The molecular weight of RefChem:336259 is 269.12 g/mol.
Where can I buy RefChem:336259?
You can request a quote for RefChem:336259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336259?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.