Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride
TL;DR: Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride (CAS 3515-59-1) is a chemical compound with molecular formula C22H27ClN2O and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-methoxy-1H-indole chloride
Also Known As: 5-Methoxy-3-(N-benzyl-4-piperidinomethyl)indole hydrochloride, INDOLE, 3-(1-BENZYL-4-PIPERIDYLMETHYL)-5-METHOXY-, HYDROCHLORIDE, 3-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-methoxy-1H-indole chloride, RefChem:349197
| Molecular Formula | C22H27ClN2O |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 0.22 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.18118 |
| Heavy Atoms | 26 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 3515-59-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2CC3CC[NH+](CC3)CC4=CC=CC=C4.[Cl-] |
| InChIKey | DXNPDPHLCZRDFG-UHFFFAOYSA-N |
Product Overview
Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride (CAS 3515-59-1), with molecular formula C22H27ClN2O and molecular weight 370.18 g/mol. IUPAC: 3-[(1-benzylpiperidin-1-ium-4-yl)methyl]-5-methoxy-1H-indole chloride.
Chemical Property Profile of Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride
Property Insights of Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride
The XLogP value of 0.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride 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 Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride?
The CAS number of Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride is 3515-59-1.
What is the molecular formula of Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride?
The molecular formula of Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride is C22H27ClN2O.
What is the molecular weight of Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride?
The molecular weight of Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride is 370.18 g/mol.
Where can I buy Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride?
You can request a quote for Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-(1-benzyl-4-piperidylmethyl)-5-methoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.