IHEAT
TL;DR: IHEAT (CAS 95034-25-6) is a chemical compound with molecular formula C19H20INO2 and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-hydroxy-2-iodophenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one
Also Known As: IHEAT, I-Heat, I(125)-Heat, [125I]HEAT, 2-(beta-(3-iodo-4-hydroxyphenyl)ethylaminomethyl)tetralone
| Molecular Formula | C19H20INO2 |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.0539 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 95034-25-6 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=O)C1CNCCC3=C(C=C(C=C3)O)I |
| InChIKey | MIQRUWUVLIWVAW-UHFFFAOYSA-N |
Product Overview
IHEAT (CAS 95034-25-6), with molecular formula C19H20INO2 and molecular weight 421.05 g/mol. IUPAC: 2-[[2-(4-hydroxy-2-iodophenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of IHEAT
Property Insights of IHEAT
The XLogP value of 4.4 indicates that IHEAT is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, IHEAT exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IHEAT has 2 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 IHEAT?
The CAS number of IHEAT is 95034-25-6.
What is the molecular formula of IHEAT?
The molecular formula of IHEAT is C19H20INO2.
What is the molecular weight of IHEAT?
The molecular weight of IHEAT is 421.05 g/mol.
Where can I buy IHEAT?
You can request a quote for IHEAT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IHEAT?
Yes, KEHONG BIO provides custom synthesis services for IHEAT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.