RefChem:1096327
TL;DR: RefChem:1096327 (CAS 57757-52-5) is a chemical compound with molecular formula C29H48ClNO2 and molecular weight 477.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(Decyloxycarbonylmethyl)-1-(3-(p-methylbenzyl)-2-butenyl)piperidinium chloride, Piperidinium, 1-(carboxymethyl)-1-(3-(p-methylbenzyl)-2-butenyl)-, chloride, decyl ester, decyl 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride, Piperidinium, 1-[2-(decyloxy)-2-oxoethyl]-1-[3-methyl-4-(4-methylphenyl)-2-butenyl]-, chloride, RefChem:1096327
| Molecular Formula | C29H48ClNO2 |
|---|---|
| Molecular Weight | 477.34 g/mol |
| LogP | 4.17242 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 477.33737 |
| Heavy Atoms | 33 |
| Complexity | 677.3672 |
Chemical Identifiers
| CAS Number | 57757-52-5 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=C(C=C2)C.[Cl-] |
Product Overview
RefChem:1096327 (CAS 57757-52-5), with molecular formula C29H48ClNO2 and molecular weight 477.34 g/mol. IUPAC: decyl 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of RefChem:1096327
Property Insights of RefChem:1096327
The XLogP value of 4.17242 indicates that RefChem:1096327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:1096327 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096327 has 0 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:1096327?
The CAS number of RefChem:1096327 is 57757-52-5.
What is the molecular formula of RefChem:1096327?
The molecular formula of RefChem:1096327 is C29H48ClNO2.
What is the molecular weight of RefChem:1096327?
The molecular weight of RefChem:1096327 is 477.34 g/mol.
Where can I buy RefChem:1096327?
You can request a quote for RefChem:1096327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096327?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.