![Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate structure](/static/products/5533/5533-17-5.webp)
Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate
TL;DR: Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate (CAS 5533-17-5) is a chemical compound with molecular formula C14H27O3P and molecular weight 274.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-diethoxyphosphoryl-1-methyl-4-propan-2-ylcyclohexene
Also Known As: diethyl para-menth-6-en-2-ylphosphonate, diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate, 6-diethoxyphosphoryl-1-methyl-4-propan-2-ylcyclohexene, Diethyl (5-isopropyl-2-methylcyclohex-2-en-1-yl)phosphonate, Diethyl [2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate
| Molecular Formula | C14H27O3P |
|---|---|
| Molecular Weight | 274.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.16977 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 5533-17-5 |
|---|---|
| SMILES | CCOP(=O)(C1CC(CC=C1C)C(C)C)OCC |
| InChIKey | QOVBYJJTSUSBAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate (CAS 5533-17-5), with molecular formula C14H27O3P and molecular weight 274.17 g/mol. IUPAC: 6-diethoxyphosphoryl-1-methyl-4-propan-2-ylcyclohexene.
Chemical Property Profile of Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate
Property Insights of Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate has 0 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 Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate?
The CAS number of Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate is 5533-17-5.
What is the molecular formula of Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate?
The molecular formula of Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate is C14H27O3P.
What is the molecular weight of Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate?
The molecular weight of Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate is 274.17 g/mol.
Where can I buy Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate?
You can request a quote for Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl[2-methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.