3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester
TL;DR: 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester (CAS 70575-41-6) is a chemical compound with molecular formula C30H49N3O2 and molecular weight 483.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-methylpropyl)-4-phenyl-3,5-bis(piperidin-1-ylmethyl)piperidine-4-carboxylate
Also Known As: 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester, 4-Piperidinecarboxylic acid, 3,5-bis(1-piperidinylmethyl)-1-(2-methylpropyl)-4-phenyl-, ethyl ester, ethyl 1-(2-methylpropyl)-4-phenyl-3,5-bis(piperidin-1-ylmethyl)piperidine-4-carboxylate, Ethyl 1-(2-methylpropyl)-4-phenyl-3,5-bis[(piperidin-1-yl)methyl]piperidine-4-carboxylate, RefChem:295632
| Molecular Formula | C30H49N3O2 |
|---|---|
| Molecular Weight | 483.38 g/mol |
| LogP | 4.6633 |
| Topological Polar Surface Area | 36.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.38248 |
| Heavy Atoms | 35 |
| Complexity | 741.0661 |
Chemical Identifiers
| CAS Number | 70575-41-6 |
|---|---|
| SMILES | CCOC(=O)C1(C(CN(CC1CN2CCCCC2)CC(C)C)CN3CCCCC3)C4=CC=CC=C4 |
Product Overview
3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester (CAS 70575-41-6), with molecular formula C30H49N3O2 and molecular weight 483.38 g/mol. IUPAC: ethyl 1-(2-methylpropyl)-4-phenyl-3,5-bis(piperidin-1-ylmethyl)piperidine-4-carboxylate.
Chemical Property Profile of 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester
Property Insights of 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester
The XLogP value of 4.6633 indicates that 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.02 Ų, 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 5 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 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester?
The CAS number of 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester is 70575-41-6.
What is the molecular formula of 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester?
The molecular formula of 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester is C30H49N3O2.
What is the molecular weight of 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester?
The molecular weight of 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester is 483.38 g/mol.
Where can I buy 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester?
You can request a quote for 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.