ChemDiv3_004606
TL;DR: ChemDiv3_004606 (CAS 431928-53-9) is a chemical compound with molecular formula C26H37N3O4 and molecular weight 455.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine
Also Known As: ChemDiv3_004606, IDI1_022516, AT-057/43318216, BRD-K88097483-034-01-1, 1-(2-methoxyphenyl)-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine
| Molecular Formula | C26H37N3O4 |
|---|---|
| Molecular Weight | 455.28 g/mol |
| LogP | 3.5076 |
| Topological Polar Surface Area | 46.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.2784 |
| Heavy Atoms | 33 |
| Complexity | 881.15515 |
Chemical Identifiers
| CAS Number | 431928-53-9 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CC4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
ChemDiv3_004606 (CAS 431928-53-9), with molecular formula C26H37N3O4 and molecular weight 455.28 g/mol. IUPAC: 1-(2-methoxyphenyl)-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine.
Chemical Property Profile of ChemDiv3_004606
Property Insights of ChemDiv3_004606
The XLogP value of 3.5076 indicates that ChemDiv3_004606 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.64 Ų, ChemDiv3_004606 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004606 has 0 hydrogen bond donor(s) and 7 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 ChemDiv3_004606?
The CAS number of ChemDiv3_004606 is 431928-53-9.
What is the molecular formula of ChemDiv3_004606?
The molecular formula of ChemDiv3_004606 is C26H37N3O4.
What is the molecular weight of ChemDiv3_004606?
The molecular weight of ChemDiv3_004606 is 455.28 g/mol.
Where can I buy ChemDiv3_004606?
You can request a quote for ChemDiv3_004606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004606?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.