4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride
TL;DR: 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride (CAS 28143-75-1) is a chemical compound with molecular formula C28H40Cl2N2O2 and molecular weight 506.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate;dihydrochloride
Also Known As: 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride, [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] Benzoate Dihydrochloride, [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate dihydrochloride, 4-Piperidinol, 5-[(hexahydro-1H-azepin-1-yl)methyl]-1,2,5-trimethyl-4-phenyl-, benzoate (ester), dihydrochloride, 5-[(Azepan-1-yl)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl benzoate--hydrogen chloride (1/2)
| Molecular Formula | C28H40Cl2N2O2 |
|---|---|
| Molecular Weight | 506.25 g/mol |
| LogP | 6.1888 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.24667 |
| Heavy Atoms | 34 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 28143-75-1 |
|---|---|
| SMILES | CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | CXNDUTSUJZVOIT-UHFFFAOYSA-N |
Product Overview
4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride (CAS 28143-75-1), with molecular formula C28H40Cl2N2O2 and molecular weight 506.25 g/mol. IUPAC: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate;dihydrochloride.
Chemical Property Profile of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride
Property Insights of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride
The XLogP value of 6.1888 indicates that 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride has 2 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 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride?
The CAS number of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride is 28143-75-1.
What is the molecular formula of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride?
The molecular formula of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride is C28H40Cl2N2O2.
What is the molecular weight of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride?
The molecular weight of 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride is 506.25 g/mol.
Where can I buy 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride?
You can request a quote for 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.