RefChem:1054514
TL;DR: RefChem:1054514 (CAS 63845-31-8) is a chemical compound with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone chloride
Also Known As: (5-Methoxy-3-indolyl)-(4-piperidyl-methyl)-keton hydrochlorid [German], (5-Methoxy-3-indolyl)-(4-piperidyl-methyl)-keton hydrochlorid, Ethanone, 1-(5-methoxy-1H-indol-3-yl)-2-(4-piperidinyl)-, monohydrochloride, KETONE, 5-METHOXY-1H-INDOL-3-YL 4-PIPERIDYLMETHYL, MONOHYDROCHLORIDE, 1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone chloride
| Molecular Formula | C16H21ClN2O2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | -1.57 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.12915 |
| Heavy Atoms | 21 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 63845-31-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCCCC3.[Cl-] |
| InChIKey | GXTNLTUPJNQZIC-UHFFFAOYSA-N |
Product Overview
RefChem:1054514 (CAS 63845-31-8), with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol. IUPAC: 1-(5-methoxy-1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone chloride.
Chemical Property Profile of RefChem:1054514
Property Insights of RefChem:1054514
The XLogP value of -1.57 indicates that RefChem:1054514 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:1054514 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054514 has 2 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:1054514?
The CAS number of RefChem:1054514 is 63845-31-8.
What is the molecular formula of RefChem:1054514?
The molecular formula of RefChem:1054514 is C16H21ClN2O2.
What is the molecular weight of RefChem:1054514?
The molecular weight of RefChem:1054514 is 308.13 g/mol.
Where can I buy RefChem:1054514?
You can request a quote for RefChem:1054514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054514?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.