RefChem:336237
TL;DR: RefChem:336237 (CAS 85467-17-0) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-ethyl (1R,2S)-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)cyclopropane-1-carboxylate chloride
Also Known As: cis-1-Phenyl-2-(1-pyrrolidinylmethyl)cyclopropanecarboxylic acid ethyl ester hydrochloride, Cyclopropanecarboxylic acid, 1-phenyl-2-(1-pyrrolidinylmethyl)-, ethyl ester, hydrochloride, cis-, ethyl (1R,2S)-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)cyclopropane-1-carboxylate chloride, RefChem:336237
| Molecular Formula | C17H24ClNO2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | -1.81 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.14957 |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 85467-17-0 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1C[NH+]2CCCC2)C3=CC=CC=C3.[Cl-] |
| InChIKey | JHTGSFQBEQNEFN-KALLACGZSA-N |
Product Overview
RefChem:336237 (CAS 85467-17-0), with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol. IUPAC: cis-ethyl (1R,2S)-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)cyclopropane-1-carboxylate chloride.
Chemical Property Profile of RefChem:336237
Property Insights of RefChem:336237
The XLogP value of -1.81 indicates that RefChem:336237 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:336237 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:336237 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:336237?
The CAS number of RefChem:336237 is 85467-17-0.
What is the molecular formula of RefChem:336237?
The molecular formula of RefChem:336237 is C17H24ClNO2.
What is the molecular weight of RefChem:336237?
The molecular weight of RefChem:336237 is 309.15 g/mol.
Where can I buy RefChem:336237?
You can request a quote for RefChem:336237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336237?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.