RefChem:1062018
TL;DR: RefChem:1062018 (CAS 18188-86-8) is a chemical compound with molecular formula C17H26Cl2N2O3 and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium dichloride
Also Known As: beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-piperidinoethyl ester, dihydrochloride, N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)-beta-alanine 2-piperidinoethyl ester dihydrochloride, (7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium dichloride, 2-(Piperidin-1-yl)ethyl N-(7-oxocyclohepta-1,3,5-trien-1-yl)-beta-alaninate--hydrogen chloride (1/2), RefChem:1062018
| Molecular Formula | C17H26Cl2N2O3 |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | -6.75 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 376.13205 |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 18188-86-8 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCOC(=O)CC[NH2+]C2=CC=CC=CC2=O.[Cl-].[Cl-] |
| InChIKey | LFGQBPSJKIEDBO-UHFFFAOYSA-N |
Product Overview
RefChem:1062018 (CAS 18188-86-8), with molecular formula C17H26Cl2N2O3 and molecular weight 376.13 g/mol. IUPAC: (7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium dichloride.
Chemical Property Profile of RefChem:1062018
Property Insights of RefChem:1062018
The XLogP value of -6.75 indicates that RefChem:1062018 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062018. Following Lipinski's Rule of Five, RefChem:1062018 has 2 hydrogen bond donor(s) and 5 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:1062018?
The CAS number of RefChem:1062018 is 18188-86-8.
What is the molecular formula of RefChem:1062018?
The molecular formula of RefChem:1062018 is C17H26Cl2N2O3.
What is the molecular weight of RefChem:1062018?
The molecular weight of RefChem:1062018 is 376.13 g/mol.
Where can I buy RefChem:1062018?
You can request a quote for RefChem:1062018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062018?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.