3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one
TL;DR: 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one (CAS 1024134-57-3) is a chemical compound with molecular formula C15H18INO3 and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methylamino]-2-iodocyclohex-2-en-1-one
Also Known As: 3-(((3,4-DIMETHOXYPHENYL)METHYL)AMINO)-2-IODOCYCLOHEX-2-EN-1-ONE, 3-[(3,4-dimethoxyphenyl)methylamino]-2-iodocyclohex-2-en-1-one, 3-{[(3,4-dimethoxyphenyl)methyl]amino}-2-iodocyclohex-2-en-1-one, 3-[(3,4-dimethoxyphenyl)methylamino]-2-iodo-cyclohex-2-en-1-one, 3-[(3,4-dimethoxybenzyl)amino]-2-iodo-2-cyclohexen-1-one
| Molecular Formula | C15H18INO3 |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 3.193 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.03314 |
| Heavy Atoms | 20 |
| Complexity | 539.9202 |
Chemical Identifiers
| CAS Number | 1024134-57-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=C(C(=O)CCC2)I)OC |
Product Overview
3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one (CAS 1024134-57-3), with molecular formula C15H18INO3 and molecular weight 387.03 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methylamino]-2-iodocyclohex-2-en-1-one.
Chemical Property Profile of 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one
Property Insights of 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one
The XLogP value of 3.193 indicates that 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one has 1 hydrogen bond donor(s) and 4 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 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one?
The CAS number of 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one is 1024134-57-3.
What is the molecular formula of 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one?
The molecular formula of 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one is C15H18INO3.
What is the molecular weight of 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one?
The molecular weight of 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one is 387.03 g/mol.
Where can I buy 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one?
You can request a quote for 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(((3,4-Dimethoxyphenyl)methyl)amino)-2-iodocyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.