3-IPPPS-naphthalene
TL;DR: 3-IPPPS-naphthalene (CAS 19621-92-2) is a chemical compound with molecular formula C26H33IN2O and molecular weight 516.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-1-[(3-iodophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol
Also Known As: 3-Ippps-naphthalene, 4-aminobenzene-1,2-diol,hydrobromide, (3R,4R)-1-[(3-iodophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol, (3r,4r)-3-(3,4-dihydro-1'h,2h-spiro[naphthalene-1,4'-piperidin]-1'-yl)-1-(3-iodobenzyl)piperidin-4-ol, 4-Piperidinol, 3-(3,4-dihydrospiro(naphthalene-1(2H),4'-piperidin)-1'-yl)-1-((3-iodophenyl)methyl)-, trans-
| Molecular Formula | C26H33IN2O |
|---|---|
| Molecular Weight | 516.16 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 516.16376 |
| Heavy Atoms | 30 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 19621-92-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C3(C1)CCN(CC3)[C@@H]4CN(CC[C@H]4O)CC5=CC(=CC=C5)I |
| InChIKey | KOIJWARRGDEZPX-JWQCQUIFSA-N |
Product Overview
3-IPPPS-naphthalene (CAS 19621-92-2), with molecular formula C26H33IN2O and molecular weight 516.16 g/mol. IUPAC: (3R,4R)-1-[(3-iodophenyl)methyl]-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylpiperidin-4-ol.
Chemical Property Profile of 3-IPPPS-naphthalene
Property Insights of 3-IPPPS-naphthalene
The XLogP value of 5.4 indicates that 3-IPPPS-naphthalene 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-IPPPS-naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-IPPPS-naphthalene 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-IPPPS-naphthalene?
The CAS number of 3-IPPPS-naphthalene is 19621-92-2.
What is the molecular formula of 3-IPPPS-naphthalene?
The molecular formula of 3-IPPPS-naphthalene is C26H33IN2O.
What is the molecular weight of 3-IPPPS-naphthalene?
The molecular weight of 3-IPPPS-naphthalene is 516.16 g/mol.
Where can I buy 3-IPPPS-naphthalene?
You can request a quote for 3-IPPPS-naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-IPPPS-naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 3-IPPPS-naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.