RefChem:1054498
TL;DR: RefChem:1054498 (CAS 63845-32-9) is a chemical compound with molecular formula C15H18Cl2N2O and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ium-4-ylethanone chloride
Also Known As: 5-Chloro-1H-indol-3-yl 4-piperidinylmethyl ketone hydrochloride, (5-Chlor-3-indolyl)-(4-piperidyl-methyl)-keton hydrochlorid, (5-Chlor-3-indolyl)-(4-piperidyl-methyl)-keton hydrochlorid [German], 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ium-4-ylethanone chloride, Ethanone, 1-(5-chloro-1H-indol-3-yl)-2-(4-piperidinyl)-, monohydrochloride
| Molecular Formula | C15H18Cl2N2O |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | -0.63 |
| Topological Polar Surface Area | 49.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.07962 |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 63845-32-9 |
|---|---|
| SMILES | C1C[NH2+]CCC1CC(=O)C2=CNC3=C2C=C(C=C3)Cl.[Cl-] |
| InChIKey | INOHVAWBSUAXGY-UHFFFAOYSA-N |
Product Overview
RefChem:1054498 (CAS 63845-32-9), with molecular formula C15H18Cl2N2O and molecular weight 312.08 g/mol. IUPAC: 1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ium-4-ylethanone chloride.
Chemical Property Profile of RefChem:1054498
Property Insights of RefChem:1054498
The XLogP value of -0.63 indicates that RefChem:1054498 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.5 Ų, RefChem:1054498 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054498 has 2 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:1054498?
The CAS number of RefChem:1054498 is 63845-32-9.
What is the molecular formula of RefChem:1054498?
The molecular formula of RefChem:1054498 is C15H18Cl2N2O.
What is the molecular weight of RefChem:1054498?
The molecular weight of RefChem:1054498 is 312.08 g/mol.
Where can I buy RefChem:1054498?
You can request a quote for RefChem:1054498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054498?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.