RefChem:1071424
TL;DR: RefChem:1071424 (CAS 16036-86-5) is a chemical compound with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-oxobutyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Also Known As: 1-(3-Oxobutyl)-4-phenylisonipecotic acid ethyl ester hydrochloride, ethyl 1-(3-oxobutyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride, ISONIPECOTIC ACID, 1-(3-OXOBUTYL)-4-PHENYL-, ETHYL ESTER, HYDROCHLORIDE, 4-Piperidinecarboxylic acid, 1-(3-oxobutyl)-4-phenyl-, ethyl ester, hydrochloride (1:1)
| Molecular Formula | C18H26ClNO3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | -1.85 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.16013 |
| Heavy Atoms | 23 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 16036-86-5 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C)C2=CC=CC=C2.[Cl-] |
| InChIKey | OWBPFWBYDKXVLI-UHFFFAOYSA-N |
Product Overview
RefChem:1071424 (CAS 16036-86-5), with molecular formula C18H26ClNO3 and molecular weight 339.16 g/mol. IUPAC: ethyl 1-(3-oxobutyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride.
Chemical Property Profile of RefChem:1071424
Property Insights of RefChem:1071424
The XLogP value of -1.85 indicates that RefChem:1071424 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, RefChem:1071424 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071424 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:1071424?
The CAS number of RefChem:1071424 is 16036-86-5.
What is the molecular formula of RefChem:1071424?
The molecular formula of RefChem:1071424 is C18H26ClNO3.
What is the molecular weight of RefChem:1071424?
The molecular weight of RefChem:1071424 is 339.16 g/mol.
Where can I buy RefChem:1071424?
You can request a quote for RefChem:1071424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071424?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.