9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate
TL;DR: 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate (CAS 13500-97-5) is a chemical compound with molecular formula C27H31NO5 and molecular weight 449.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidine
Also Known As: 11-(2-Piperidinoethoxy)-9,10-dihydro-9,10-ethanoanthracene fumarate, 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate, 9,10-Dihydro-11-(2-piperidinoethoxy)-9,10-ethanoanthracene fumarate, Piperidine, 1-[2-[(9,10-dihydro-9,10-ethanoanthracen-11-yl)oxy]ethyl]-, fumarate (1:1), RefChem:1074831
| Molecular Formula | C27H31NO5 |
|---|---|
| Molecular Weight | 449.22 g/mol |
| LogP | 4.2504 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.2202 |
| Heavy Atoms | 33 |
| Complexity | 947.57623 |
Chemical Identifiers
| CAS Number | 13500-97-5 |
|---|---|
| SMILES | C1CCN(CC1)CCOC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O |
Product Overview
9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate (CAS 13500-97-5), with molecular formula C27H31NO5 and molecular weight 449.22 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidine.
Chemical Property Profile of 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate
Property Insights of 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate
The XLogP value of 4.2504 indicates that 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate. Following Lipinski's Rule of Five, 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate has 2 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 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate?
The CAS number of 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate is 13500-97-5.
What is the molecular formula of 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate?
The molecular formula of 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate is C27H31NO5.
What is the molecular weight of 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate?
The molecular weight of 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate is 449.22 g/mol.
Where can I buy 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate?
You can request a quote for 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-piperidinoethoxy)-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.