3-Isopropyl-5,7-dipiperidinomethyltropolone
TL;DR: 3-Isopropyl-5,7-dipiperidinomethyltropolone (CAS 5408-25-3) is a chemical compound with molecular formula C22H36Cl2N2O2 and molecular weight 430.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3,5-bis(piperidin-1-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one;dihydrochloride
Also Known As: 3-Isopropyl-5,7-dipiperidinomethyltropolone, Sid 768578, 2-hydroxy-3,5-bis(piperidin-1-ylmethyl)-7-(propan-2-yl)cyclohepta-2,4,6-trien-1-one dihydrochloride, 2-Hydroxy-3-(1-methylethyl)-5,7-bis(1-piperidinylmethyl)-2,4,6-cycloheptatrien-1-one dihydrochloride, 2-hydroxy-3,5-bis(piperidin-1-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dihydrochloride
| Molecular Formula | C22H36Cl2N2O2 |
|---|---|
| Molecular Weight | 430.22 g/mol |
| LogP | 4.6912 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.2154 |
| Heavy Atoms | 28 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 5408-25-3 |
|---|---|
| SMILES | CC(C)C1=CC(=CC(=C(C1=O)O)CN2CCCCC2)CN3CCCCC3.Cl.Cl |
| InChIKey | ALBPPQAHIUEYGX-UHFFFAOYSA-N |
Product Overview
3-Isopropyl-5,7-dipiperidinomethyltropolone (CAS 5408-25-3), with molecular formula C22H36Cl2N2O2 and molecular weight 430.22 g/mol. IUPAC: 2-hydroxy-3,5-bis(piperidin-1-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one;dihydrochloride.
Chemical Property Profile of 3-Isopropyl-5,7-dipiperidinomethyltropolone
Property Insights of 3-Isopropyl-5,7-dipiperidinomethyltropolone
The XLogP value of 4.6912 indicates that 3-Isopropyl-5,7-dipiperidinomethyltropolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 3-Isopropyl-5,7-dipiperidinomethyltropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropyl-5,7-dipiperidinomethyltropolone has 3 hydrogen bond donor(s) and 4 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 3-Isopropyl-5,7-dipiperidinomethyltropolone?
The CAS number of 3-Isopropyl-5,7-dipiperidinomethyltropolone is 5408-25-3.
What is the molecular formula of 3-Isopropyl-5,7-dipiperidinomethyltropolone?
The molecular formula of 3-Isopropyl-5,7-dipiperidinomethyltropolone is C22H36Cl2N2O2.
What is the molecular weight of 3-Isopropyl-5,7-dipiperidinomethyltropolone?
The molecular weight of 3-Isopropyl-5,7-dipiperidinomethyltropolone is 430.22 g/mol.
Where can I buy 3-Isopropyl-5,7-dipiperidinomethyltropolone?
You can request a quote for 3-Isopropyl-5,7-dipiperidinomethyltropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropyl-5,7-dipiperidinomethyltropolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-5,7-dipiperidinomethyltropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.