C29H47ClNO2.Cl
TL;DR: C29H47ClNO2.Cl (CAS 56145-46-1) is a chemical compound with molecular formula C29H47Cl2NO2 and molecular weight 511.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-[1-[3-chloro-4-(2,4-dimethylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(3-Chloro-4-(2,4-xylyl)-2-butenyl)-1-(decyloxycarbonylmethyl)piperidinium chloride, Piperidinium, 1-(carboxymethyl)-1-(3-chloro-4-(2,4-xylyl)-2-butenyl)-, chloride, decyl ester, Piperidinium, 1-[3-chloro-4-(2,4-dimethylphenyl)-2-butenyl]-1-[2-(decyloxy)-2-oxoethyl]-, chloride
| Molecular Formula | C29H47Cl2NO2 |
|---|---|
| Molecular Weight | 511.30 g/mol |
| LogP | 4.65724 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 511.29837 |
| Heavy Atoms | 34 |
| Complexity | 741.6462 |
Chemical Identifiers
| CAS Number | 56145-46-1 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(CC2=C(C=C(C=C2)C)C)Cl.[Cl-] |
Product Overview
C29H47ClNO2.Cl (CAS 56145-46-1), with molecular formula C29H47Cl2NO2 and molecular weight 511.30 g/mol. IUPAC: decyl 2-[1-[3-chloro-4-(2,4-dimethylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of C29H47ClNO2.Cl
Property Insights of C29H47ClNO2.Cl
The XLogP value of 4.65724 indicates that C29H47ClNO2.Cl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, C29H47ClNO2.Cl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H47ClNO2.Cl has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H47ClNO2.Cl?
The CAS number of C29H47ClNO2.Cl is 56145-46-1.
What is the molecular formula of C29H47ClNO2.Cl?
The molecular formula of C29H47ClNO2.Cl is C29H47Cl2NO2.
What is the molecular weight of C29H47ClNO2.Cl?
The molecular weight of C29H47ClNO2.Cl is 511.30 g/mol.
Where can I buy C29H47ClNO2.Cl?
You can request a quote for C29H47ClNO2.Cl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H47ClNO2.Cl?
Yes, KEHONG BIO provides custom synthesis services for C29H47ClNO2.Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.