RefChem:1096331
TL;DR: RefChem:1096331 (CAS 56080-89-8) is a chemical compound with molecular formula C28H45Cl2NO3 and molecular weight 513.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(Decyloxycarbonylmethyl)-1-(3-chloro-4-(p-methoxyphenyl)-2-butenyl)piperidinium chloride, Piperidinium, 1-(carboxymethyl)-1-(3-chloro-4-(p-methoxyphenyl)-2-butenyl)-, chloride, decyl ester, decyl 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride, Piperidinium, 1-[3-chloro-4-(4-methoxyphenyl)-2-butenyl]-1-[2-(decyloxy)-2-oxoethyl]-, chloride, RefChem:1096331
| Molecular Formula | C28H45Cl2NO3 |
|---|---|
| Molecular Weight | 513.28 g/mol |
| LogP | 4.049 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 513.27765 |
| Heavy Atoms | 34 |
| Complexity | 700.1077 |
Chemical Identifiers
| CAS Number | 56080-89-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/CC2=CC=C(C=C2)OC)\Cl.[Cl-] |
Product Overview
RefChem:1096331 (CAS 56080-89-8), with molecular formula C28H45Cl2NO3 and molecular weight 513.28 g/mol. IUPAC: decyl 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of RefChem:1096331
Property Insights of RefChem:1096331
The XLogP value of 4.049 indicates that RefChem:1096331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, RefChem:1096331 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096331 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096331?
The CAS number of RefChem:1096331 is 56080-89-8.
What is the molecular formula of RefChem:1096331?
The molecular formula of RefChem:1096331 is C28H45Cl2NO3.
What is the molecular weight of RefChem:1096331?
The molecular weight of RefChem:1096331 is 513.28 g/mol.
Where can I buy RefChem:1096331?
You can request a quote for RefChem:1096331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096331?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.