RefChem:1053811
TL;DR: RefChem:1053811 (CAS 59836-70-3) is a chemical compound with molecular formula C15H21ClN2O and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-piperidin-1-ium-1-ylethanone chloride
Also Known As: 1-Piperidinoacetylindoline hydrochloride, 2,3-Dihydro-1-piperidinoacetylindole hydrochloride, INDOLINE, 1-PIPERIDINOACETYL-, HYDROCHLORIDE, 1H-Indole, 2,3-dihydro-1-(1-piperidinylacetyl)-, monohydrochloride, 1-(2,3-dihydroindol-1-yl)-2-piperidin-1-ium-1-ylethanone chloride
| Molecular Formula | C15H21ClN2O |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | -2.35 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.13425 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 59836-70-3 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC(=O)N2CCC3=CC=CC=C32.[Cl-] |
| InChIKey | LESFRTLRYTZXBE-UHFFFAOYSA-N |
Product Overview
RefChem:1053811 (CAS 59836-70-3), with molecular formula C15H21ClN2O and molecular weight 280.13 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-piperidin-1-ium-1-ylethanone chloride.
Chemical Property Profile of RefChem:1053811
Property Insights of RefChem:1053811
The XLogP value of -2.35 indicates that RefChem:1053811 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, RefChem:1053811 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053811 has 1 hydrogen bond donor(s) and 2 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:1053811?
The CAS number of RefChem:1053811 is 59836-70-3.
What is the molecular formula of RefChem:1053811?
The molecular formula of RefChem:1053811 is C15H21ClN2O.
What is the molecular weight of RefChem:1053811?
The molecular weight of RefChem:1053811 is 280.13 g/mol.
Where can I buy RefChem:1053811?
You can request a quote for RefChem:1053811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053811?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.