RefChem:312604
TL;DR: RefChem:312604 (CAS 13388-31-3) is a chemical compound with molecular formula C25H34Cl2N2O and molecular weight 448.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-methyl-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)propyl]piperazine;dihydrochloride
Also Known As: 9,10-Dihydro-9-(2-methyl-3-(4-methylpiperazinyl)propoxy)-9,10-ethanoanthracene 2 HCl, 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-methyl-3-(4-methylpiperazinyl)propoxy)-, dihydrochloride, 9-(2-Methyl-3-(4-methyl-1-piperazinyl)propoxy)-9,10-dihydro-9,10-ethanoanthracene 2 HCl, 1-{3-[(9,10-Dihydro-9,10-ethanoanthracen-11-yl)oxy]-2-methylpropyl}-4-methylpiperazine--hydrogen chloride (1/2), Piperazine, 1-[3-[(9,10-dihydro-9,10-ethanoanthracen-11-yl)oxy]-2-methylpropyl]-4-methyl-, dihydrochloride
| Molecular Formula | C25H34Cl2N2O |
|---|---|
| Molecular Weight | 448.20 g/mol |
| LogP | 4.7798 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.20483 |
| Heavy Atoms | 30 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 13388-31-3 |
|---|---|
| SMILES | CC(CN1CCN(CC1)C)COC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.Cl.Cl |
| InChIKey | LFFQCRMBSFNDKJ-UHFFFAOYSA-N |
Product Overview
RefChem:312604 (CAS 13388-31-3), with molecular formula C25H34Cl2N2O and molecular weight 448.20 g/mol. IUPAC: 1-methyl-4-[2-methyl-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)propyl]piperazine;dihydrochloride.
Chemical Property Profile of RefChem:312604
Property Insights of RefChem:312604
The XLogP value of 4.7798 indicates that RefChem:312604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, RefChem:312604 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:312604 has 2 hydrogen bond donor(s) and 3 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 RefChem:312604?
The CAS number of RefChem:312604 is 13388-31-3.
What is the molecular formula of RefChem:312604?
The molecular formula of RefChem:312604 is C25H34Cl2N2O.
What is the molecular weight of RefChem:312604?
The molecular weight of RefChem:312604 is 448.20 g/mol.
Where can I buy RefChem:312604?
You can request a quote for RefChem:312604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:312604?
Yes, KEHONG BIO provides custom synthesis services for RefChem:312604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.