RefChem:295872
TL;DR: RefChem:295872 (CAS 33809-52-8) is a chemical compound with molecular formula C30H45Cl2N3O4 and molecular weight 581.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride
Also Known As: 4-Piperidinol, 5-dibutylaminomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride, 5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl 4-nitrobenzoate dihydrochloride, [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate dihydrochloride, 4-Piperidinol, 5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-, 4-nitrobenzoate (ester), dihydrochloride, 4-Piperidinol,5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-, 4-(4-nitrobenzoate),hydrochloride (1:2)
| Molecular Formula | C30H45Cl2N3O4 |
|---|---|
| Molecular Weight | 581.28 g/mol |
| LogP | 7.1232 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 581.2787 |
| Heavy Atoms | 39 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 33809-52-8 |
|---|---|
| SMILES | CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C)C.Cl.Cl |
| InChIKey | QSQPKGMKDLPMON-UHFFFAOYSA-N |
Product Overview
RefChem:295872 (CAS 33809-52-8), with molecular formula C30H45Cl2N3O4 and molecular weight 581.28 g/mol. IUPAC: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride.
Chemical Property Profile of RefChem:295872
Property Insights of RefChem:295872
The XLogP value of 7.1232 indicates that RefChem:295872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:295872. Following Lipinski's Rule of Five, RefChem:295872 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:295872?
The CAS number of RefChem:295872 is 33809-52-8.
What is the molecular formula of RefChem:295872?
The molecular formula of RefChem:295872 is C30H45Cl2N3O4.
What is the molecular weight of RefChem:295872?
The molecular weight of RefChem:295872 is 581.28 g/mol.
Where can I buy RefChem:295872?
You can request a quote for RefChem:295872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:295872?
Yes, KEHONG BIO provides custom synthesis services for RefChem:295872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.