RefChem:1096305
TL;DR: RefChem:1096305 (CAS 57757-54-7) is a chemical compound with molecular formula C27H43Cl2NO2 and molecular weight 483.27 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-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(3-Chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)piperidinium chloride decyl ester, Piperidinium, 1-(3-chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester, decyl 2-[1-[(Z)-3-chloro-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride, RefChem:1096305
| Molecular Formula | C27H43Cl2NO2 |
|---|---|
| Molecular Weight | 483.27 g/mol |
| LogP | 4.0404 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 483.2671 |
| Heavy Atoms | 32 |
| Complexity | 642.3162 |
Chemical Identifiers
| CAS Number | 57757-54-7 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/CC2=CC=CC=C2)\Cl.[Cl-] |
Product Overview
RefChem:1096305 (CAS 57757-54-7), with molecular formula C27H43Cl2NO2 and molecular weight 483.27 g/mol. IUPAC: decyl 2-[1-[(Z)-3-chloro-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of RefChem:1096305
Property Insights of RefChem:1096305
The XLogP value of 4.0404 indicates that RefChem:1096305 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:1096305 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096305 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:1096305?
The CAS number of RefChem:1096305 is 57757-54-7.
What is the molecular formula of RefChem:1096305?
The molecular formula of RefChem:1096305 is C27H43Cl2NO2.
What is the molecular weight of RefChem:1096305?
The molecular weight of RefChem:1096305 is 483.27 g/mol.
Where can I buy RefChem:1096305?
You can request a quote for RefChem:1096305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096305?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.