3-Ipppds-indene
TL;DR: 3-Ipppds-indene (CAS 1960-49-2) is a chemical compound with molecular formula C25H31IN2O and molecular weight 502.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-1-[(3-iodophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
Also Known As: 3-Ipppds-indene, KST-1A2454, (3S,4S)-1-[(3-iodophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol, (3s,4s)-3-(2,3-dihydro-1'h-spiro[indene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)piperidin-4-ol, 4-Piperidinol, 3-(2,3-dihydrospiro(1H-indene-1,4'-piperidin)-1'-yl)-1-((3-iodophenyl)methyl)-, trans-
| Molecular Formula | C25H31IN2O |
|---|---|
| Molecular Weight | 502.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 502.1481 |
| Heavy Atoms | 29 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 1960-49-2 |
|---|---|
| SMILES | C1CN(C[C@@H]([C@H]1O)N2CCC3(CCC4=CC=CC=C43)CC2)CC5=CC(=CC=C5)I |
| InChIKey | SKMFMSUPYCIHLQ-ZEQRLZLVSA-N |
Product Overview
3-Ipppds-indene (CAS 1960-49-2), with molecular formula C25H31IN2O and molecular weight 502.15 g/mol. IUPAC: (3S,4S)-1-[(3-iodophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol.
Chemical Property Profile of 3-Ipppds-indene
Property Insights of 3-Ipppds-indene
The XLogP value of 4.8 indicates that 3-Ipppds-indene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, 3-Ipppds-indene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ipppds-indene has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ipppds-indene?
The CAS number of 3-Ipppds-indene is 1960-49-2.
What is the molecular formula of 3-Ipppds-indene?
The molecular formula of 3-Ipppds-indene is C25H31IN2O.
What is the molecular weight of 3-Ipppds-indene?
The molecular weight of 3-Ipppds-indene is 502.15 g/mol.
Where can I buy 3-Ipppds-indene?
You can request a quote for 3-Ipppds-indene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ipppds-indene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ipppds-indene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.