Diphenethindole
TL;DR: Diphenethindole (CAS 72601-09-3) is a chemical compound with molecular formula C29H31N3O and molecular weight 437.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-benzhydryloxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Also Known As: Diphenethindole, 6-(2-benzhydryloxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 2-(2-(diphenylmethoxy)ethyl)-1,2,3,4,6,7,12,12a-octahydro-, Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(2-(diphenylmethoxy)ethyl)-, 2-[2-(Diphenylmethoxy)ethyl]-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indole
| Molecular Formula | C29H31N3O |
|---|---|
| Molecular Weight | 437.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.2467 |
| Heavy Atoms | 33 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 72601-09-3 |
|---|---|
| SMILES | C1CN2CC3=C(CC2CN1CCOC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6N3 |
| InChIKey | JYRRLCNLAJMXFH-UHFFFAOYSA-N |
Product Overview
Diphenethindole (CAS 72601-09-3), with molecular formula C29H31N3O and molecular weight 437.25 g/mol. IUPAC: 6-(2-benzhydryloxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene.
Chemical Property Profile of Diphenethindole
Property Insights of Diphenethindole
The XLogP value of 4.0 indicates that Diphenethindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, Diphenethindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenethindole has 1 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 Diphenethindole?
The CAS number of Diphenethindole is 72601-09-3.
What is the molecular formula of Diphenethindole?
The molecular formula of Diphenethindole is C29H31N3O.
What is the molecular weight of Diphenethindole?
The molecular weight of Diphenethindole is 437.25 g/mol.
Where can I buy Diphenethindole?
You can request a quote for Diphenethindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenethindole?
Yes, KEHONG BIO provides custom synthesis services for Diphenethindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.