RefChem:336254
TL;DR: RefChem:336254 (CAS 85467-56-7) is a chemical compound with molecular formula C18H28ClNO2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[[(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl]-methylazanium chloride
Also Known As: Cyclopropanecarboxylic acid, 2-((butylmethylamino)methyl)-1-phenyl-, ethyl ester, monohydrochloride, cis-, (Z)-2-((Butylmethylamino)methyl)-1-phenylcyclopropanecarboxylic acid ethyl ester HCl, butyl-[[(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl]-methylazanium chloride, CYCLOPROPANECARBOXYLIC ACID, 2-((BUTYLMETHYLAMINO)METHYL)-1-PHENYL-, ETHYL ESTER, RefChem:336254
| Molecular Formula | C18H28ClNO2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | -1.17 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 325.18085 |
| Heavy Atoms | 22 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 85467-56-7 |
|---|---|
| SMILES | CCCC[NH+](C)C[C@H]1C[C@@]1(C2=CC=CC=C2)C(=O)OCC.[Cl-] |
| InChIKey | GRCHBMOCWOXXEW-CLRXKPRGSA-N |
Product Overview
RefChem:336254 (CAS 85467-56-7), with molecular formula C18H28ClNO2 and molecular weight 325.18 g/mol. IUPAC: butyl-[[(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl]-methylazanium chloride.
Chemical Property Profile of RefChem:336254
Property Insights of RefChem:336254
The XLogP value of -1.17 indicates that RefChem:336254 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:336254 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336254 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:336254?
The CAS number of RefChem:336254 is 85467-56-7.
What is the molecular formula of RefChem:336254?
The molecular formula of RefChem:336254 is C18H28ClNO2.
What is the molecular weight of RefChem:336254?
The molecular weight of RefChem:336254 is 325.18 g/mol.
Where can I buy RefChem:336254?
You can request a quote for RefChem:336254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336254?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.