RefChem:1071463
TL;DR: RefChem:1071463 (CAS 36174-42-2) is a chemical compound with molecular formula C29H40Cl2N2O2 and molecular weight 518.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate;dihydrochloride
Also Known As: 4-Piperidinol, 4-phenyl-5-piperidinomethyl-1,2,5-trimethyl-, cinnamate, dihydrochloride, 4-Hydroxy-4-phenyl-5-piperidinomethyl-1,2,5-trimethylpiperidine, cinnamate, dihydrochloride, [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride, 2-Propenoic acid, 3-phenyl-, 1,2,5-trimethyl-4-phenyl-5-(1-piperidinylmethyl)-4-piperidinyl ester, dihydrochloride, RefChem:1071463
| Molecular Formula | C29H40Cl2N2O2 |
|---|---|
| Molecular Weight | 518.25 g/mol |
| LogP | 6.1983 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.2467 |
| Heavy Atoms | 35 |
| Complexity | 949.6688 |
Chemical Identifiers
| CAS Number | 36174-42-2 |
|---|---|
| SMILES | CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4.Cl.Cl |
Product Overview
RefChem:1071463 (CAS 36174-42-2), with molecular formula C29H40Cl2N2O2 and molecular weight 518.25 g/mol. IUPAC: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate;dihydrochloride.
Chemical Property Profile of RefChem:1071463
Property Insights of RefChem:1071463
The XLogP value of 6.1983 indicates that RefChem:1071463 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, RefChem:1071463 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071463 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1071463?
The CAS number of RefChem:1071463 is 36174-42-2.
What is the molecular formula of RefChem:1071463?
The molecular formula of RefChem:1071463 is C29H40Cl2N2O2.
What is the molecular weight of RefChem:1071463?
The molecular weight of RefChem:1071463 is 518.25 g/mol.
Where can I buy RefChem:1071463?
You can request a quote for RefChem:1071463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071463?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.