3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one (CAS 1024156-42-0) is a chemical compound with molecular formula C14H22INO and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-(cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one, J3.624.038E, 3-(cyclohexylamino)-2-iodo-5,5-dimethyl-cyclohex-2-en-1-one, 2-Iodo-3-(cyclohexylamino)-5,5-dimethyl-2-cyclohexene-1-one
| Molecular Formula | C14H22INO |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 3.9444 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.07462 |
| Heavy Atoms | 17 |
| Complexity | 340.13138 |
Chemical Identifiers
| CAS Number | 1024156-42-0 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)I)NC2CCCCC2)C |
Product Overview
3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one (CAS 1024156-42-0), with molecular formula C14H22INO and molecular weight 347.07 g/mol. IUPAC: 3-(cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 3.9444 indicates that 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-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 29.1 Ų, 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 2 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-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one is 1024156-42-0.
What is the molecular formula of 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one is C14H22INO.
What is the molecular weight of 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one is 347.07 g/mol.
Where can I buy 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-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-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cyclohexylamino)-2-iodo-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.