6-(benzyloxy)-2,3-dihydroinden-1-one
TL;DR: 6-(benzyloxy)-2,3-dihydroinden-1-one (CAS 86758-89-6) is a chemical compound with molecular formula C25H24ClN3S and molecular weight 433.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]-1-phenylmethanimine
Also Known As: 6-(benzyloxy)-2,3-dihydroinden-1-one
| Molecular Formula | C25H24ClN3S |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 5.7401 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.13794 |
| Heavy Atoms | 30 |
| Complexity | 1045.2692 |
Chemical Identifiers
| CAS Number | 86758-89-6 |
|---|---|
| SMILES | C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)N=CC5=CC=CC=C5 |
Product Overview
6-(benzyloxy)-2,3-dihydroinden-1-one (CAS 86758-89-6), with molecular formula C25H24ClN3S and molecular weight 433.14 g/mol. IUPAC: N-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]-1-phenylmethanimine.
Chemical Property Profile of 6-(benzyloxy)-2,3-dihydroinden-1-one
Property Insights of 6-(benzyloxy)-2,3-dihydroinden-1-one
The XLogP value of 5.7401 indicates that 6-(benzyloxy)-2,3-dihydroinden-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, 6-(benzyloxy)-2,3-dihydroinden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(benzyloxy)-2,3-dihydroinden-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(benzyloxy)-2,3-dihydroinden-1-one?
The CAS number of 6-(benzyloxy)-2,3-dihydroinden-1-one is 86758-89-6.
What is the molecular formula of 6-(benzyloxy)-2,3-dihydroinden-1-one?
The molecular formula of 6-(benzyloxy)-2,3-dihydroinden-1-one is C25H24ClN3S.
What is the molecular weight of 6-(benzyloxy)-2,3-dihydroinden-1-one?
The molecular weight of 6-(benzyloxy)-2,3-dihydroinden-1-one is 433.14 g/mol.
Where can I buy 6-(benzyloxy)-2,3-dihydroinden-1-one?
You can request a quote for 6-(benzyloxy)-2,3-dihydroinden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(benzyloxy)-2,3-dihydroinden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(benzyloxy)-2,3-dihydroinden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.