3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one (CAS 408326-59-0) is a chemical compound with molecular formula C8H11IO2 and molecular weight 265.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one, J1.934.719B, 1-Iodo-2-hydroxy-4,4-dimethyl-1-cyclohexene-6-one, 2-Iodo-3-hydroxy-5,5-dimethyl-2-cyclohexene-1-one, 3-hydroxy-2-iodo-5,5-dimethyl-cyclohex-2-en-1-one
| Molecular Formula | C8H11IO2 |
|---|---|
| Molecular Weight | 265.98 g/mol |
| LogP | 2.5801 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.98038 |
| Heavy Atoms | 11 |
| Complexity | 228.24655 |
Chemical Identifiers
| CAS Number | 408326-59-0 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)I)O)C |
Product Overview
3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one (CAS 408326-59-0), with molecular formula C8H11IO2 and molecular weight 265.98 g/mol. IUPAC: 3-hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 2.5801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-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-Hydroxy-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-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one is 408326-59-0.
What is the molecular formula of 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one is C8H11IO2.
What is the molecular weight of 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one is 265.98 g/mol.
Where can I buy 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-Hydroxy-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-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-iodo-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.