3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1)
TL;DR: 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) (CAS 53757-92-9) is a chemical compound with molecular formula C40H50N2O6S2 and molecular weight 718.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-methyl-4-phenyl-3-propan-2-ylidenepiperidine);naphthalene-1,5-disulfonic acid
Also Known As: 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1), Piperidine, 3-(isopropylidene)-1-methyl-4-phenyl-, 1,5-naphthalenedisulfonate (2:1), Naphthalene-1,5-disulfonic acid--1-methyl-4-phenyl-3-(propan-2-ylidene)piperidine (1/2), 1-methyl-4-phenyl-3-propan-2-ylidenepiperidine; naphthalene-1,5-disulfonic acid, RefChem:1092256
| Molecular Formula | C40H50N2O6S2 |
|---|---|
| Molecular Weight | 718.31 g/mol |
| LogP | 8.2174 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 718.31104 |
| Heavy Atoms | 50 |
| Complexity | 1886.7783 |
Chemical Identifiers
| CAS Number | 53757-92-9 |
|---|---|
| SMILES | CC(=C1CN(CCC1C2=CC=CC=C2)C)C.CC(=C1CN(CCC1C2=CC=CC=C2)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O |
Product Overview
3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) (CAS 53757-92-9), with molecular formula C40H50N2O6S2 and molecular weight 718.31 g/mol. IUPAC: bis(1-methyl-4-phenyl-3-propan-2-ylidenepiperidine);naphthalene-1,5-disulfonic acid.
Chemical Property Profile of 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1)
Property Insights of 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1)
The XLogP value of 8.2174 indicates that 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1). Following Lipinski's Rule of Five, 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1)?
The CAS number of 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) is 53757-92-9.
What is the molecular formula of 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1)?
The molecular formula of 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) is C40H50N2O6S2.
What is the molecular weight of 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1)?
The molecular weight of 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) is 718.31 g/mol.
Where can I buy 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1)?
You can request a quote for 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Isopropylidene)-1-methyl-4-phenyl-piperidine 1,5-naphthalenedisulfonate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.